SCHEMBL2172972

SCHEMBL2172972

Cc1cc(C)c(N=C=O)c(N=C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
TRPA1 O75762 1/20 0.46
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL17047430 0.89 CYP3A4 (0.46) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL1192169 0.87 CYP3A4 (0.42) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL407044 0.82 CYP3A4 (0.58) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL5576975 0.81 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL16707388 0.81 CYP3A4 (0.48) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL10316650 0.80 CYP3A4 (0.43) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL5052561 0.80 CYP3A4 (0.39) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3657241 0.80 CYP3A4 (0.39) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3685073 0.79 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL1493093 0.78 CYP3A4 (0.60) 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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4178999-B1 TPO PRIMER HABASIT AG (CH) 2026-03-04 EP claimed
EP-1717223-B2 Method for the purification of isocyanates BASF SE (DE) 2023-01-04 EP claimed
EP-3155163-B1 DIPPING SOLUTION FOR CORD FABRICS KORDSA TEKNIK TEKSTIL A S (TR) 2018-12-19 EP claimed
EP-1838747-B1 COMIXTURES FOR USE IN RHEOLOGY MODIFICATION ALLNEX NETHERLANDS BV (NL) 2018-04-18 EP claimed
EP-2894177-B1 COMPOSITION FOR OPTICAL MATERIAL, AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2017-11-08 EP claimed
EP-2989243-B1 A RFL-FREE DIPPING COMPOSITION PROVIDING HIGH PERFORMANCE FOR CORD FABRICS KORDSA GLOBAL ENDUSTRIYEL IPLIK VE KORD BEZI SANAYI VE TICARET AS (TR) 2017-06-07 EP claimed
EP-2931791-B1 A DIPPING MATERIAL FOR CORD FABRICS AND A PRODUCTION METHOD THEREOF KORDSA GLOBAL ENDUSTRIYEL IPLIK VE KORD BEZI SANAYI VE TICARET AS (TR) 2017-02-08 EP claimed
EP-1717223-B1 Method for the purification of isocyanates BASF SE (DE) 2016-07-20 EP claimed
EP-2097464-A1 POLYAMIDE POLYOLS AND POLYURETHANES, METHODS FOR MAKING AND USING, AND PRODUCTS MADE THEREFROM Arizona Chemical Company (US) 2009-09-09 EP claimed
EP-1991608-A1 HIGHLY FILLED COMPOSITE MATERIALS Clausi, Robert N. (CA) 2008-11-19 EP claimed
WO-2008070762-A1 POLYAMIDE POLYOLS AND POLYURETHANES, METHODS FOR MAKING AND USING, AND PRODUCTS MADE THEREFROM ARIZONA CHEMICAL COMPANY (US) 2008-06-12 WO claimed
WO-2007095730-A1 HIGHLY FILLED COMPOSITE MATERIALS CLAUSI ROBERT N (CA) 2007-08-30 WO claimed
EP-1717223-A2 Method for the purification of isocyanates BASF Aktiengesellschaft (DE) 2006-11-02 EP claimed
EP-1305351-B1 POLYURETHANE DISPERSION IN ALCOHOL-WATER SYSTEM 3M INNOVATIVE PROPERTIES CO (US) 2005-08-24 EP claimed
WO-2026041654-A1 POLYUREA COATING COMPRISING DIMER FATTY ACID-BASED AMINE SIKA TECHNOLOGY AG (CH) 2026-02-26 WO disclosed
EP-4700058-A1 POLYUREA COATING WITH DIMER FATTY ACID-BASED AMINE Sika Technology AG (CH) 2026-02-25 EP disclosed
WO-2025131826-A1 CURABLE POLYMER COMPOSITIONS CONTAINING ISOCYANATES, ALDIMINES AND COMPOUNDS WITH ACTIVATED METHYLENE GROUPS SIKA TECHNOLOGY AG (CH) 2025-06-26 WO disclosed
EP-0048117-A2 In-mold coating compositions containing a non-isocyanate-reactive unsaturated resin, a non-isocyanate-reactive monomer and a free isocyanate-containing compound ICI AMERICAS INC. (US) 1982-03-24 EP disclosed
EP-0008170-A1 Polyisocyanurate containing moulding compositions ICI AMERICAS INC. (US) 1980-02-20 EP disclosed
EP-0000659-A1 An isocyanurate composition formed by the trimerisation of an isocyanate group containing urethane of an aromatic polyisocyanate and a vinylidenecarbonyloxyalkanol and solutions, polymers and laminates obtained therefrom. ICI AMERICAS INC. (US) 1979-02-07 EP disclosed