SCHEMBL9749873

SCHEMBL9749873

CC(C)Cn1nc(S)nc1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.48
AGTR1 P30556 2/20 0.41
AGTR2 P50052 2/20 0.41
CNR2 P34972 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
DHODH Q02127 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRS3 P32247 1/20 0.37
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36

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
SCHEMBL9552675 0.88 AGTR1 (0.53) AGTR1AGTR2CNR2LTB4R2BRS3
SCHEMBL9739523 0.85 FOLH1 (0.43) FOLH1AGTR1AGTR2CNR2LTB4R
SCHEMBL9552285 0.82 FOLH1 (0.47) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL9528876 0.82 AGTR1 (0.46) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL9552109 0.81 FOLH1 (0.39) FOLH1AGTR1AGTR2CNR2LTB4R
SCHEMBL9553503 0.78 AGTR1 (0.52) AGTR1AGTR2LTB4R2BRS3
SCHEMBL9552744 0.78 AGTR1 (0.53) AGTR1AGTR2CNR2LTB4R2BRS3
SCHEMBL9553005 0.77 AGTR1 (0.54) AGTR1AGTR2CNR2LTB4R2BRS3
SCHEMBL9553144 0.76 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9553316 0.76 FOLH1 (0.49) FOLH1AGTR1AGTR2LTB4RLTB4R2

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-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed