SCHEMBL9164483

SCHEMBL9164483

O=C=Nc1ccccc1C(N=C=O)N=C=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL3981386 0.83 ESR1 (0.31) CYP3A4
SCHEMBL365140 0.81 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1140210 0.81 CYP3A4 (0.42) CYP3A4TRPA1
SCHEMBL9575202 0.81 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL7723450 0.81 CYP3A4 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL28718654 0.79 CYP3A4 (0.41) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL4651380 0.78 CYP3A4 (0.40) CYP3A4
SCHEMBL30378062 0.78 CYP3A4 (0.40) CYP3A4
SCHEMBL11342431 0.78 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL462794 0.78 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161618-B1 PHOTOSENSITIVE RESIN COMPOSITION, FLEXOGRAPHIC PRINTING PLATE, AND METHOD FOR PRODUCING FLEXOGRAPHIC PRINTING PLATE ASAHI KASEI E MATERIALS CORP (JP) 2016-03-09 EP claimed
EP-0039729-B1 METALIZED POLYESTER RESIN LAMINATE DUNMORE CORPORATION (US) 1985-05-29 EP claimed
JP-60119632-A None JP disclosed
JP-60119633-A None JP disclosed
WO-2021063760-A1 PROCESS FOR THE DISTILLATION OF ISOCYANATES COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-04-08 WO disclosed
EP-3798208-A1 METHOD FOR DISTILLATION OF ISOCYANATES Covestro Deutschland AG (DE) 2021-03-31 EP disclosed
EP-0397378-B1 Hydrochlorofluorocarbon blown rigid polyurethane foams and their preparation MITSUI TOATSU CHEMICALS (JP) 1995-11-02 EP disclosed
EP-0431756-B1 Polyol and rigid polyurethane foam MITSUI TOATSU CHEMICALS (JP) 1995-04-05 EP disclosed
US-5246978-A Thermal insulation material; epoxy resin based, phenolic resin based or aromatic amine based polyol component MITSUI TOATSU CHEMICALS, INC. (JP) 1993-09-21 US disclosed
EP-0304854-B1 BINDER FOR CATHODIC ELECTRODEPOSITION BASF LACKE & FARBEN (DE) 1992-10-28 EP disclosed
US-5107068-A Rigid foam from low hazard chlorofluorocarbon; polymerizing diisocyanate, polyether polyol initiated fromphenolic resin with alkanolamine; fireproof insulation MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-21 US disclosed
EP-0431756-A2 Polyol and rigid polyurethane foam MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-12 EP disclosed
EP-0397378-A1 Hydrochlorofluorocarbon blown rigid polyurethane foams and their preparation MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-11-14 EP disclosed
EP-0370349-A1 Process for removing surface distributed hydrocarbons, especially oil spills BAYER AG (DE) 1990-05-30 EP disclosed
EP-0304854-A2 Binder for cathodic electrodeposition BASF Lacke + Farben AG (DE) 1989-03-01 EP disclosed
EP-0178531-B1 AQUEOUS ELECTRODIP-LACQUERING COATING COMPOSITION AND ITS USE IN COATING OBJECTS Herberts Gesellschaft mit beschränkter Haftung (DE) 1989-01-18 EP disclosed
EP-0180051-A1 Process for the production of an externally cross-linkable epoxy-free amino-poly(meth)acrylate resin, the resin obtainable thereby, its use, cathodic electrodeposition bath containing it and its use in the coating of objects Herberts Gesellschaft mit beschränkter Haftung (DE) 1986-05-07 EP disclosed
EP-0178531-A1 Aqueous electrodip-lacquering coating composition and its use in coating objects Herberts Gesellschaft mit beschränkter Haftung (DE) 1986-04-23 EP disclosed
JP-S60119632-A MAGNETIC RECORDING MEDIUM RICOH CO LTD 1985-06-27 JP disclosed
JP-S60119633-A MAGNETIC RECORDING MEDIUM RICOH CO LTD 1985-06-27 JP disclosed