SCHEMBL332723

SCHEMBL332723

Cc1ccc2c(N=C=O)cccc2c1N=C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
TRPA1 O75762 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP1A2 P05177 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ABCB11 O95342 1/20 0.33
NR3C1 P04150 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
CCR2 P41597 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29375242 1.00 CYP3A4 (0.53) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL31249481 1.00 CYP3A4 (0.53) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL33014 0.84 CYP3A4 (0.48) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL12206125 0.82 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL29370250 0.81 CYP3A4 (0.62) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL22210 0.81 CYP3A4 (0.62) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL11436578 0.81 CYP3A4 (0.46) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3649787 0.80 GABRA1 (0.61) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL20145 0.80 CYP3A4 (0.63) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL30520271 0.80 CYP3A4 (0.63) CYP3A4TRPA1GABRA1GABRB2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4849262-A Pigment printing pastes and dyeing liquors containing stable dispersions of finely divided solid polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1989-07-18 US claimed
US-4076945-A Method for making urethane-terminated polycarbodiimides and products thereof THE GENERAL TIRE & RUBBER COMPANY (US) 1978-02-28 US claimed
US-12428568-B2 Laminate having inorganic nanoparticle-containing surface layer that exhibits appearance with low gloss and inorganic nanoparticle-containing radiation-curable ink 3M INNOVATIVE PROPERTIES COMPANY (US) 2025-09-30 US disclosed
EP-3298096-B1 THERMALLY STABLE MICROSTRUCTURED SEMI-IPN LAYER 3M INNOVATIVE PROPERTIES COMPANY (US) 2025-04-02 EP disclosed
EP-4061896-B1 LAMINATE HAVING INORGANIC NANOPARTICLE-CONTAINING SURFACE LAYER THAT EXHIBITS APPEARANCE WITH LOW GLOSS AND INORGANIC NANOPARTICLE-CONTAINING RADIATION-CURABLE INK 3M INNOVATIVE PROPERTIES COMPANY (US) 2025-01-08 EP disclosed
EP-4061897-B1 LAMINATE HAVING INORGANIC NANOPARTICLE-CONTAINING WEAR- RESISTANT LAYER AND INORGANIC NANOPARTICLE-CONTAINING RADIATION-CURABLE INK HAVING LOW VISCOSITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2025-01-08 EP disclosed
US-12110375-B2 Compositions and foam compositions containing composite particles, articles, composite particles, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-10-08 US disclosed
CN-113939556-B Composition and foam composition containing composite particles, article, composite particles and method 3M创新有限公司 2024-05-28 CN disclosed
CN-114729216-B Radiation curable inkjet ink, decorative sheet and method for producing a decorative sheet 3M创新有限公司 2024-04-05 CN disclosed
US-20240101839-A1 LAMINATE HAVING INORGANIC NANOPARTICLE-CONTAINING SURFACE LAYER THAT EXHIBITS APPEARANCE WITH LOW GLOSS AND INORGANIC NANOPARTICLE-CONTAINING RADIATION-CURABLE INK 3M INNOVATIVE PROPERTIES COMPANY 2024-03-28 US disclosed
US-20240093047-A1 LAMINATE HAVING INORGANIC NANOPARTICLE-CONTAINING WEAR-RESISTANT LAYER AND INORGANIC NANOPARTICLE-CONTAINING RADIATION-CURABLE INK HAVING LOW VISCOSITY 3M INNOVATIVE PROPERTIES COMPANY 2024-03-21 US disclosed
WO-2009100341-A1 SEMI-IPN POLYURETHANE/POLYUREA PROTECTIVE FILMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-08-13 WO disclosed
US-20090039200-A1 EROSION RESISTANT FILMS FOR USE ON HEATED AERODYNAMIC SURFACES 3M INNOVATIVE PROPERTIES COMPANY 2009-02-12 US disclosed
US-6051632-A STORAGE STABLE, SOLID AT ROOM TEMPERATURE; COMPRISING INORGANIC FILLER, A REACTIVE RESIN CONTAINING AN EPOXIDE, LATENT CATALYST AND POWDERED POLYISOCYANATE AND OPTIONALLY ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-18 US disclosed
EP-0332425-B1 PROCESS FOR REFINING 1,3-DIMETHYL-2-IMIDAZOLIDINONE AND A PROCESS FOR PREPARING AN AROMATIC POLYAMIDE BY USE OF THE REFINED PRODUCT MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed
US-5075406-A Solution polymerization of polyamides in solvent purified by adsorption on magnesia, alumina, silica or mixed oxides MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-24 US disclosed
US-5011936-A Using composite salt consisting of at least two of silica, magnesia and alumina MITSUI TOATSU CHEMICALS, INC. (JP) 1991-04-30 US disclosed
EP-0332425-A1 Process for refining 1,3-dimethyl-2-imidazolidinone and a process for preparing an aromatic polyamide by use of the refined product MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-13 EP disclosed
US-4623686-A PRIMERS FOR COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1986-11-18 US disclosed
US-4076945-A Method for making urethane-terminated polycarbodiimides and products thereof THE GENERAL TIRE & RUBBER COMPANY (US) 1978-02-28 US disclosed