SCHEMBL6419136

SCHEMBL6419136

Cc1c(Cc2cccc(N=C=O)c2C)cccc1N=C=O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.70
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 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
SCHEMBL10652352 0.95 CYP3A4 (0.63) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL23522251 0.89 CYP3A4 (0.70) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL29467771 0.86 CYP3A4 (0.53) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL12274063 0.86 CYP3A4 (0.53) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL10649255 0.85 CYP3A4 (0.56) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL152177 0.85 CYP3A4 (0.66) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL15092 0.83 CYP3A4 (1.00) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL6420030 0.83 CYP3A4 (0.53) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL941704 0.82 CYP3A4 (0.55) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL27946613 0.81 CYP3A4 (0.95) CYP3A4GABRA1GABRB2TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924385-B2 Method for synthesis of aliphatic isocyanates from aromatic isocyanates DEGUSSA AG (DE) 2005-08-02 US claimed
EP-0393149-B1 VINYL ETHER TERMINATED ESTER AND URETHANE RESINS FROM BIS(HYDROXYALKYL)CYCLOALKANES AlliedSignal Inc. (US) 1992-12-09 EP claimed
EP-0454910-A1 Cyclodextrin-coated solid substrate UOP (US) 1991-11-06 EP claimed
EP-0393149-A1 VINYL ETHER TERMINATED ESTER AND URETHANE RESINS FROM BIS(HYDROXYALKYL)CYCLOALKANES. ALLIED SIGNAL INC (US) 1990-10-24 EP claimed
US-4917956-A CROSSLINKED WITH POLYISOCYANATES, COATING SOLID SUBSTRATE UOP (US) 1990-04-17 US claimed
WO-1989006228-A1 VINYL ETHER TERMINATED ESTER AND URETHANE RESINS FROM BIS(HYDROXYALKYL)CYCLOALKANES ALLIED-SIGNAL INC. (US) 1989-07-13 WO claimed
US-4775732-A HIGH SPEED CURING ALLIED-SIGNAL INC. (US) 1988-10-04 US claimed
US-9050697-B2 Self-conditioning polishing pad and a method of making the same JH RHODES COMPANY, INC. (US) 2015-06-09 US disclosed
US-20130252519-A1 SELF-CONDITIONING POLISHING PAD AND A METHOD OF MAKING THE SAME JH RHODES COMPANY, INC. (US) 2013-09-26 US disclosed
US-6924385-B2 Method for synthesis of aliphatic isocyanates from aromatic isocyanates DEGUSSA AG (DE) 2005-08-02 US disclosed
EP-0767931-B1 INCREASING THE USEFUL RANGE OF CATIONIC PHOTOINITIATORS IN STEREOLITHOGRAPHY VANTICO AG (CH) 2001-12-19 EP disclosed
EP-0773977-B1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS ALLIED SIGNAL INC (US) 2000-04-05 EP disclosed
US-5902837-A FAST CURING; ADHESION TO METAL; PHYSICAL PROPERTIES; ALLYL ALCOHOL (CHLORIDE)-MODIFIED POLYETHERS,-ESTERS,-AMIDES, -URETHANES OR NOVALAK; PRINTED CIRCUITS SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-4847347-A MOLDING MATERIALS UOP (US) 1989-07-11 US disclosed
US-4806616-A N-N'-dialkylphenylenediamines as curing agents in polyurethane and polyurea manufacture by reaction injection molding UOP INC. (US) 1989-02-21 US disclosed
US-4801674-A ELASTOMERS UOP INC. (US) 1989-01-31 US disclosed
US-4775732-A HIGH SPEED CURING ALLIED-SIGNAL INC. (US) 1988-10-04 US disclosed
US-4736009-A Partially alkylated triamines and higher polyamines as curing agents in polyurethane manufacture by reaction injection molding UOP INC. (US) 1988-04-05 US disclosed
EP-0233490-A2 Method for increasing the molecular weight of polyamides and polyesteramides THE DOW CHEMICAL COMPANY (US) 1987-08-26 EP disclosed
US-4224216-A Polypropylene/glass fiber/imide/thermoplastic elastomer based compositions RHONE-POULENC INDUSTRIES (FR) 1980-09-23 US disclosed