SCHEMBL15431

SCHEMBL15431

O=C=Nc1ccccc1N=C=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.64
TRPA1 O75762 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.36
ABCB11 O95342 1/20 0.34
NR3C1 P04150 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ALOX15 P16050 1/20 0.34
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL29395383 1.00 CYP3A4 (0.64) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL30244709 0.97 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
Ammonia Solution, Strong SCHEMBL28158244 0.97 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
Water SCHEMBL28526910 0.97 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
Fluoride SCHEMBL28813057 0.97 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
Benzene SCHEMBL28766229 0.97 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
Cyclohexane SCHEMBL1006844 0.92 CYP3A4 (0.56) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL9445659 0.92 CYP3A4 (0.56) CYP3A4TRPA1GABRA1GABRB2TDP1
Hexamethylbenzene SCHEMBL28101399 0.89 CYP3A4 (0.74) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL13113982 0.89 CYP3A4 (0.54) CYP3A4TRPA1GABRA1GABRB2TDP1

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

Appears in 22814 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117004178-B Toughened and modified compound and its preparing process Jiangxi Lianmao Electronic Technology Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-122094934-A Polythiol composition and use thereof 2026-05-26 CN claimed
EP-4745174-A1 POLYMERIZABLE COMPOSITION, CURED OBJECT, OPTICAL MATERIAL, SPECTACLE LENS, COMPOUND, METHOD FOR PRODUCING POLYMERIZABLE COMPOSITION, AND RESIN Mitsui Chemicals, Inc. (JP) 2026-05-20 EP claimed
EP-4745173-A1 POLYMERIZABLE COMPOSITION, CURED PRODUCT, OPTICAL MATERIAL, SPECTACLE LENS, COMPOUND, METHOD FOR PRODUCING POLYMERIZABLE COMPOSITION, AND RESIN Mitsui Chemicals, Inc. (JP) 2026-05-20 EP claimed
WO-2026100697-A1 PHOTOCURABLE EPISULFIDE COMPOSITION, CURED PRODUCT, LAMINATE, AND METHOD FOR PRODUCING CURED PRODUCT 三井化学株式会社 2026-05-15 WO claimed
US-12624312-B2 Fabric care composition with delivery particles THE PROCTER & GAMBLE COMPANY (US) 2026-05-12 US claimed
EP-4735520-A1 COMPOSITIONS OF PLANT-BASED FLOUR DELIVERY PARTICLES Encapsys, LLC (US) 2026-05-06 EP claimed
EP-3861977-B1 (METH)ACRYLATE, MONOMER COMPOSITION, MOLDED BODY, COMPOSITION FOR DENTAL MATERIAL, AND DENTAL MATERIAL MITSUI CHEMICALS INC (JP) 2026-05-06 EP claimed
EP-4733341-A1 POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING SAME, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2026-04-29 EP claimed
US-20260109890-A1 METHOD FOR REDUCING COEFFICIENT OF FRICTION OF A LAMINATE COMPRISING A POLYURETHANE ADHESIVE ARKEMA FRANCE (FR) 2026-04-23 US claimed
US-4124574-A Poly (oxyalkylene) glycol based polyurethane with improved paint adhesion properties OLIN CORPORATION (US) 1978-11-07 US claimed
US-RE29699-E Adhesion of polyester to rubber using an adhesive containing added metal compounds UNIROYAL, INC. (US) 1978-07-11 US claimed
US-4087414-A Process for producing a flame retardant isocyanurate resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1978-05-02 US claimed
US-4071313-A TREATMENT OF FIBERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1978-01-31 US claimed
US-4069211-A PAINTS, ADHESIVES, CAULKING, INK VEHICLES, SEALANTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1978-01-17 US claimed
US-4026833-A CROSSLINKED FOAMS UNIVERSITY OF NOTRE DAME (US) 1977-05-31 US claimed
US-3989768-A Chemically joined phase separated thermoplastic graft copolymers CPC INTERNATIONAL INC. (US) 1976-11-02 US claimed
US-3954693-A EPOXY RESIN, POLYISOCYANATE HARDENER LOCKHEED AIRCRAFT CORPORATION (US) 1976-05-04 US claimed
US-3954915-A OIL ADDITIVES, HEAT AND OXIDATION RESISTANCE MOBIL OIL CORPORATION (US) 1976-05-04 US claimed
US-3951614-A REACTION PRODUCT OF A HYDROCARBYL AMINE AND POLYFUNCTIONAL COUPLING AGENT CHEVRON RESEARCH COMPANY (US) 1976-04-20 US claimed