SCHEMBL7339409

SCHEMBL7339409

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.41
ITGA2B P08514 5/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGAV P06756 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
CASP6 P55212 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
CHUK O15111 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 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
SCHEMBL7347469 0.92 ITGB3 (0.40) ITGB3ITGA2BGAASMN1; SMN2ITGAV
SCHEMBL7339438 0.88 L3MBTL1 (0.39) ITGB3ITGA2BGAASMN1; SMN2ITGAV
SCHEMBL7348081 0.84 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2ITGAVL3MBTL1
SCHEMBL7337027 0.83 RXFP1 (0.43) ITGB3ITGA2BSMN1; SMN2ITGAVL3MBTL1
SCHEMBL7348024 0.83 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2ITGAVL3MBTL1
SCHEMBL7340459 0.83 ITGB3 (0.40) ITGB3ITGA2BGAASMN1; SMN2ITGAV
SCHEMBL7340089 0.82 ANO1 (0.43) ITGB3ITGA2BITGAVL3MBTL1HTT
SCHEMBL7340337 0.81 ITGB3 (0.41) ITGB3ITGA2BGAASMN1; SMN2ITGAV
SCHEMBL6777675 0.81 ITGB3 (0.41) ITGB3ITGA2BGAASMN1; SMN2L3MBTL1
SCHEMBL7342272 0.81 ITGB3 (0.41) ITGB3ITGA2BGAASMN1; SMN2ITGAV

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