SCHEMBL7347498

SCHEMBL7347498

Cc1cc(CCC(=O)O)c(O)c(NC(=O)CNC(=O)c2cccc(NC=NN)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
CASP6 P55212 1/20 0.37
MCL1 Q07820 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HTT P42858 1/20 0.36
ITGB3 P05106 5/20 0.36
ITGAV P06756 5/20 0.36
ITGA2B P08514 2/20 0.36
GPR139 Q6DWJ6 1/20 0.36
ITGB1 P05556 3/20 0.35
ITGA5 P08648 3/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
ITGB8 P26012 1/20 0.35
ITGA8 P53708 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL7339438 0.92 L3MBTL1 (0.39) SMN1; SMN2GAAL3MBTL1CASP6MCL1
SCHEMBL7342298 0.92 HTT (0.37) SMN1; SMN2GAAL3MBTL1HTTITGB3
SCHEMBL7346220 0.90 HTT (0.39) SMN1; SMN2GAAL3MBTL1MCL1HTT
SCHEMBL7341272 0.90 KMT2A (0.41) SMN1; SMN2L3MBTL1HTTITGB3ITGAV
SCHEMBL7347469 0.88 ITGB3 (0.40) SMN1; SMN2GAAL3MBTL1CASP6MCL1
SCHEMBL7337069 0.84 ITGB3 (0.41) SMN1; SMN2L3MBTL1HTTITGB3ITGAV
SCHEMBL7340143 0.83 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1HTTITGB3ITGAV
SCHEMBL7346553 0.81 SMN1; SMN2 (0.37) SMN1; SMN2GAAL3MBTL1CASP6MCL1
SCHEMBL7340369 0.81 HTT (0.39) SMN1; SMN2GAAL3MBTL1HTTITGB3
SCHEMBL7340493 0.81 SMN1; SMN2 (0.39) SMN1; SMN2GAAL3MBTL1CASP6MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed