SCHEMBL305859

SCHEMBL305859

O=C=Nc1ccc(C=Cc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRPA1 O75762 3/20 0.42
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALOX5 P09917 2/20 0.31
CYP19A1 P11511 2/20 0.31
NFE2L2 Q16236 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CA12 O43570 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
SCHEMBL305858 1.00 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL10458458 1.00 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL10458459 1.00 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL9680266 1.00 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL9680269 1.00 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL9679810 0.93 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL9679813 0.93 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL4599981 0.91 CYP3A4 (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL4599983 0.91 CYP3A4 (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL8939647 0.89 CYP19A1 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947493-A1 LAMINATED PARTS CONTAINING A SLIP RESISTANT AND WATER RESISTANT OUTER LAYER AND METHODS FOR THEIR PRODUCTION Covestro LLC (US) 2022-02-09 EP claimed
US-20220025231-A1 ADHESIVE COMPOSITIONS WITH POLYESTERS COMPRISING 2,2,4,4-TETRAALKYL-1,3-CYCLOBUTANEDIOL EASTMAN CHEMICAL (CHINA) CO., LTD. (CN) 2022-01-27 US claimed
EP-3305465-B1 METHOD AND COATING FOR PROTECTING AND REPAIRING AN AIRFOIL SURFACE HONTEK CORP (US) 2021-11-24 EP claimed
US-20210332276-A1 ADHESIVE COMPOSITIONS INCLUDING 1,4-CYCLOHEXANEDIMETHANOL AND METHODS OF MAKING THE SAME EASTMAN CHEMICAL (CHINA) CO., LTD. (CN) 2021-10-28 US claimed
US-11137242-B2 Conductive fiber comprising metal nanobelt and carbon nanomaterial composite, method for producing conductive fiber, fibrous strain sensor, and method for producing fibrous strain sensor KOREA ELECTROTECHNOLOGY RESEARCH INSTITUTE 2021-10-05 US claimed
EP-1753798-B1 ABRASION RESISTANT COATINGS HONTEK CORP (US) 2021-01-27 EP claimed
WO-2020205308-A1 LAMINATED PARTS CONTAINING A SLIP RESISTANT AND WATER RESISTANT OUTER LAYER AND METHODS FOR THEIR PRODUCTION COVESTRO LLC (US) 2020-10-08 WO claimed
US-20200199485-A1 GREASE COMPOSITIONS HAVING POLYUREA THICKENERS MADE WITH ISOCYANATE TERMINATED PREPOLYMERS EXXONMOBIL RES & ENG CO (US) 2020-06-25 US claimed
WO-2020131439-A1 GREASE COMPOSITIONS HAVING POLYUREA THICKENERS MADE WITH ISOCYANATE TERMINATED PREPOLYMERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2020-06-25 WO claimed
US-10557038-B2 Erosion resistant coatings HONTEK CORPORATION (US) 2020-02-11 US claimed
US-20030055192-A1 High friction polyurethane elastomers having improved abrasion resistance CHEMTURA USA CORPORATION 2003-03-20 US claimed
WO-2002081567-A1 HIGH FRICTION POLYURETHANE ELASTOMERS HAVING IMPROVED ABRASION RESISTANCE UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-10-17 WO claimed
EP-0910597-B1 PROCESS FOR PREPARING CELLULAR POLYURETHANE ELASTOMERS BASED ON 3,3'-DIMETHOXY-4,4'DIISOCYANATO-DIPHENYL AND/OR 4,4'-STILBENE-DIISOCYANATE BASF AG (DE) 2001-05-16 EP claimed
EP-0982079-A2 Method for producing cylindrical objects with multilayer coatings having dissimilar compositions without interfaces UNIROYAL CHEMICAL COMPANY, Inc. (US) 2000-03-01 EP claimed
US-6027769-A Method for producing cylindrical objects of multilayer dissimilar compositions without interfaces CHEMTURA USA CORPORATION 2000-02-22 US claimed
EP-0897401-B1 POLYURETHANE COMPOSITION USEFUL FOR COATING CYLINDRICAL PARTS UNIROYAL CHEM CO INC (US) 2000-01-26 EP claimed
EP-0925590-A1 ELECTRICALLY CONDUCTIVE POLYETHER POLYURETHANES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1999-06-30 EP claimed
US-5895806-A ISOCYANATE-TERMINATED POLYURETHANE PREPOLYMER CURABLE WITH CURING AGENT MIXTURE COMPRISING A POLYOL, AN AROMATIC DIAMINE, A THIXOTROPIC ALIPHATIC AMINE AND A THIXOTROPIC COLLOIDAL ADDITIVE; SYNERGISTIC, NONDRIPPING UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-04-20 US claimed
US-5895689-A ROTATIONAL CASTING ONTO A CYLINDER AN ISOCYANATE-TERMINATED POLYURETHANE PREPOLYMER CURED WITH NONDRIPPING MIXTURE COMPRISING A POLYOL, AN AROMATIC DIAMINE, A THIXOTROPIC ALIPHATIC AMINE AND A THIXOTROPIC COLLOIDAL ADDITIVE UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-04-20 US claimed
WO-1998011562-A1 ELECTRICALLY CONDUCTIVE POLYETHER POLYURETHANES UNIROYAL CHEMICAL COMPANY, INC. (US) 1998-03-19 WO claimed