SCHEMBL6251503

SCHEMBL6251503

O=C(O)/C=C(\Nc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
TP53 P04637 1/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
CDK9 P50750 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TGM2 P21980 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
EGFR P00533 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL1313381 1.00 EPHX2 (0.52) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL1313384 1.00 EPHX2 (0.52) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL10875104 0.82 NPC1 (0.51) EPHX2EPHX1TSHRSMN1; SMN2EGFR
SCHEMBL10876998 0.82 MEN1 (0.55) TP53EPHX1TSHRSMN1; SMN2TGM2
SCHEMBL10875107 0.82 NPC1 (0.51) EPHX2EPHX1TSHRSMN1; SMN2EGFR
SCHEMBL8127012 0.82 ALDH1A1 (0.50) SMN1; SMN2TGM2EGFRMMP1MMP2
SCHEMBL10012320 0.82 NPC1 (0.51) EPHX2EPHX1TSHRSMN1; SMN2EGFR
SCHEMBL10876989 0.82 MEN1 (0.55) TP53EPHX1TSHRSMN1; SMN2TGM2
SCHEMBL10874264 0.82 ALDH1A1 (0.54) TP53TSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL10874257 0.82 ALDH1A1 (0.54) TP53TSHRSMN1; SMN2HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684942-B1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORP (US) 1998-06-10 EP claimed
EP-0402561-B1 Process for the manufacture of anilinofumarate via chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID CO (US) 1994-10-05 EP claimed
EP-0309711-B1 IMPROVED METHOD FOR THE PREPARATION OF ANILINOFUMARATE AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP claimed
US-5001254-A Novel method for the preparation of quinoline-2,3-dicarboxylic AMERICAN CYANAMID COMPANY 1991-03-19 US claimed
EP-0402561-A2 Process for the manufacture of anilinofumarate via chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID COMPANY (US) 1990-12-19 EP claimed
EP-0262305-B1 METHOD FOR THE PREPARATION OF ANILINOFUMARATE AND QUINOLINE-2,3-DICARBOXYLIC ACID AMERICAN CYANAMID COMPANY (US) 1990-10-31 EP claimed
US-4904816-A Process for the manufacture of anilinofumarate via chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID COMPANY (US) 1990-02-27 US claimed
US-4847405-A AMINATION, PHASE TRANSFER AGENT AMERICAN CYANAMID COMPANY (US) 1989-07-11 US claimed
EP-0309711-A1 Improved method for the preparation of anilinofumarate AMERICAN CYANAMID COMPANY (US) 1989-04-05 EP claimed
US-4814486-A FOR HERBICIDES AMERICAN CYANAMID COMPANY (US) 1989-03-21 US claimed
US-4766218-A CYCLIZATION OF DICHLOROSUCCINATE WITH AMINE AMERICAN CYANAMID COMPANY (US) 1988-08-23 US claimed
EP-0262305-A1 Method for the preparation of anilinofumarate and quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-04-06 EP claimed
US-4675432-A REACT DISHLOROSUCCINATE WITH ANILINE IN SOLVENT, BASE AND PHA SE TRANSFER CATALYST AMERICAN CYANAMID COMPANY (US) 1987-06-23 US claimed
EP-0201203-A2 Method of treatment of plants with aniline derivatives MAY & BAKER LIMITED (GB) 1986-11-12 EP claimed
JP-3024045-A None JP disclosed
JP-9100268-A None JP disclosed
US-6962930-B1 Compounds, compositions and method suitable for amelioration of withdrawal syndromes and withdrawal-induced brain damage LOHOCLA RESEARCH CORPORATION (US) 2005-11-08 US disclosed
US-4675432-A REACT DISHLOROSUCCINATE WITH ANILINE IN SOLVENT, BASE AND PHA SE TRANSFER CATALYST AMERICAN CYANAMID COMPANY (US) 1987-06-23 US disclosed
US-4675432-A REACT DISHLOROSUCCINATE WITH ANILINE IN SOLVENT, BASE AND PHA SE TRANSFER CATALYST AMERICAN CYANAMID COMPANY (US) 1987-06-23 US disclosed
EP-0201203-A2 Method of treatment of plants with aniline derivatives MAY & BAKER LIMITED (GB) 1986-11-12 EP disclosed