SCHEMBL9736713

SCHEMBL9736713

C=CCCc1nc(O)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
AGTR1 P30556 11/20 0.42
AGTR2 P50052 11/20 0.42
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARG P37231 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37

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
SCHEMBL6007986 0.89 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9528345 0.87 FOLH1 (0.42) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL6006042 0.80 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL6005713 0.78 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL6007812 0.78 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9428342 0.77 FOLH1 (0.41) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL6005884 0.76 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL6007042 0.76 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL6006071 0.76 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL6006926 0.76 AGTR1 (0.52) AGTR1AGTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 WO disclosed