SCHEMBL295649

SCHEMBL295649

Cc1ccc(C)c(N=C=O)c1N=C=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
TRPA1 O75762 1/20 0.50
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 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
SCHEMBL129232 0.89 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2TSHR
SCHEMBL16707396 0.87 CYP3A4 (0.46) CYP3A4TRPA1GABRA1GABRB2TSHR
SCHEMBL9643667 0.87 GABRA1 (0.44) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL29706645 0.87 CYP3A4 (0.41) CYP3A4TRPA1GABRA1GABRB2TSHR
SCHEMBL374209 0.84 GABRA1 (0.56) CYP3A4TRPA1GABRA1GABRB2TSHR
SCHEMBL28949324 0.83 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL1854136 0.83 CYP3A4 (0.39) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL20893283 0.82 CYP3A4 (0.42) CYP3A4TRPA1GABRA1GABRB2TSHR
SCHEMBL291584 0.82 CYP3A4 (0.57) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL4306324 0.81 CYP3A4 (0.43) CYP3A4TRPA1GABRA1GABRB2TSHR

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 449 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
US-20230348704-A1 TPO PRIMER HABASIT AG (CH) 2023-11-02 US claimed
EP-3655243-B1 METHOD FOR PRODUCING A VEHICLE TIRE, VEHICLE TIRE PRODUCED ACCORDING TO THE METHOD, AND USE OF TREATED REINFORCING SUPPORTS CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-11-01 EP claimed
EP-2639255-B1 POLYLACTIC ACID RESIN, PREPARATION METHOD THEREOF, AND PACKAGING FILM COMPRISING SAME SK CHEMICALS CO LTD (KR) 2023-08-23 EP claimed
EP-3935214-B1 AQUEOUS DIPPING COMPOSITION CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-05-24 EP claimed
EP-3931390-B1 AQUEOUS DIPPING COMPOSITION CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-05-17 EP claimed
EP-1717223-B2 Method for the purification of isocyanates BASF SE (DE) 2023-01-04 EP claimed
EP-3655243-A1 METHOD FOR PRODUCING A VEHICLE TIRE, VEHICLE TIRE PRODUCED ACCORDING TO THE METHOD, AND USE OF TREATED REINFORCING SUPPORTS Continental Reifen Deutschland GmbH (DE) 2020-05-27 EP claimed
WO-2019015792-A1 METHOD FOR PRODUCING A VEHICLE TIRE, VEHICLE TIRE PRODUCED ACCORDING TO THE METHOD, AND USE OF TREATED REINFORCING SUPPORTS CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2019-01-24 WO claimed
EP-3155163-B1 DIPPING SOLUTION FOR CORD FABRICS KORDSA TEKNIK TEKSTIL A S (TR) 2018-12-19 EP claimed
US-20060047085-A1 (Meth)acrylate- or monomaleate-capped polyoxyalkylene phosphate mixed with or synthesized into a film-forming polymer, and a cross-linking agent having isocyanate groups, epoxy groups, acid groups, or amine groups; improved adhesion and corrosion resistance SPECIALTY OPERATIONS FRANCE (FR) 2006-03-02 US claimed
EP-1305351-B1 POLYURETHANE DISPERSION IN ALCOHOL-WATER SYSTEM 3M INNOVATIVE PROPERTIES CO (US) 2005-08-24 EP claimed
EP-1549592-A1 OPTICAL FIBER WITH CURED POLYMERIC COATING Pirelli & C. S.p.A. (IT) 2005-07-06 EP claimed
US-6770685-B1 PHOTOPOLYMERIZABLE URETHANE ACRYLATE OLIGOMER CONTAINING POLYDIMETHYLSILOXANE; PHOTOINITIATOR, LEVELING/DEFOAMING AGENT, AND ANTIOXIDANT SSCP CO., LTD. (KR) 2004-08-03 US claimed
WO-2004031091-A1 OPTICAL FIBER WITH CURED POLYMERIC COATING PIRELLI & C. S.P.A. (IT) 2004-04-15 WO claimed
EP-1034203-B1 WATERBORNE POLYURETHANES WITH UREA-URETHANE LINKAGES HENKEL KGAA (DE) 2003-04-23 EP claimed
EP-1056703-B1 COLORANT HAVING ISOCYANATE SUBSTITUENT MILLIKEN RES CORP (US) 2003-04-16 EP claimed
EP-0868457-B1 POLYURETHANES MADE FROM POLYSILOXANE/POLYOL MACROMERS NOVARTIS AG (CH) 2002-09-11 EP claimed
EP-0897401-B1 POLYURETHANE COMPOSITION USEFUL FOR COATING CYLINDRICAL PARTS UNIROYAL CHEM CO INC (US) 2000-01-26 EP claimed
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US claimed