SCHEMBL308386

SCHEMBL308386

O=C=Nc1ccc(C(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
TSHR P16473 1/20 0.52
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
SRD5A2 P31213 5/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TRPA1 O75762 2/20 0.41
NOS1 P29475 3/20 0.39
NOS3 P29474 2/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL145056 0.92 ALDH1A1 (0.56) CYP3A4TSHRADRA2AADRA2BADRA2C
SCHEMBL21300034 0.92 CYP3A4 (0.45) CYP3A4TSHRADRA2AADRA2BADRA2C
SCHEMBL20107770 0.90 MAPT (0.47) CYP3A4TSHRADRA2AADRA2BADRA2C
SCHEMBL20893292 0.90 ALDH1A1 (0.61) CYP3A4TSHRADRA2AADRA2BADRA2C
SCHEMBL22966429 0.88 SRD5A2 (0.50) CYP3A4TSHRADRA2AADRA2BADRA2C
SCHEMBL22966330 0.88 SRD5A2 (0.50) CYP3A4TSHRADRA2AADRA2BADRA2C
SCHEMBL31650976 0.86 CYP3A4 (0.52) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL17577477 0.85 TDP1 (0.47) CYP3A4TSHRADRA2AADRA2BADRA2C
SCHEMBL1878165 0.84 TSHR (0.55) CYP3A4TSHRSRD5A2MAPTALDH1A1
SCHEMBL10488686 0.83 CYP3A4 (0.54) CYP3A4TSHRADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305465-B1 METHOD AND COATING FOR PROTECTING AND REPAIRING AN AIRFOIL SURFACE HONTEK CORP (US) 2021-11-24 EP claimed
EP-1753798-B1 ABRASION RESISTANT COATINGS HONTEK CORP (US) 2021-01-27 EP 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
EP-3484937-A1 CAST URETHANES MADE FROM LOW FREE MONOMER PREPOLYMER WITH POLYCARBONATE BACKBONE Lanxess Solutions US Inc. (US) 2019-05-22 EP claimed
EP-3305465-A1 METHOD AND COATING FOR PROTECTING AND REPAIRING AN AIRFOIL SURFACE Hontek Corporation (US) 2018-04-11 EP claimed
US-20180016382-A1 CAST URETHANES MADE FROM LOW FREE MONOMER PREPOLYMER WITH POLYCARBONATE BACKBONE LANXESS CORPORATION 2018-01-18 US claimed
WO-2018013886-A1 CAST URETHANES MADE FROM LOW FREE MONOMER PREPOLYMER WITH POLYCARBONATE BACKBONE LANXESS SOLUTIONS US INC. (US) 2018-01-18 WO claimed
US-20180002530-A1 EROSION RESISTANT COATINGS HONTEK CORPORATION (US) 2018-01-04 US claimed
WO-2002081567-A1 HIGH FRICTION POLYURETHANE ELASTOMERS HAVING IMPROVED ABRASION RESISTANCE UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-10-17 WO 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
US-5998510-A POLYESTERURETHANE COPOLYMER PREMIX, INC. (US) 1999-12-07 US 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
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 claimed
EP-0033181-A1 Mixtures of branched-chain amines and derivatives thereof AKZO N.V. (NL) 1981-08-05 EP claimed
US-3937673-A DIELECTRICS PHELPS DODGE INDUSTRIES, INC. (US) 1976-02-10 US claimed