SCHEMBL7340459

SCHEMBL7340459

Cc1c(NC(=O)CNC(=O)c2cccc(NC(=N)N)c2)csc1CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.40
ITGA2B P08514 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CASP6 P55212 1/20 0.39
MCL1 Q07820 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HTT P42858 1/20 0.39
PARP1 P09874 2/20 0.38
PARP10 Q53GL7 2/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ITGAV P06756 2/20 0.37
MDM4 O15151 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 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
SCHEMBL7340493 0.88 SMN1; SMN2 (0.39) ITGB3SMN1; SMN2L3MBTL1CASP6MCL1
SCHEMBL6777675 0.86 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2L3MBTL1CASP6
SCHEMBL6777380 0.86 SMN1; SMN2 (0.44) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL6778336 0.84 HTT (0.41) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL7339409 0.83 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2L3MBTL1CASP6
SCHEMBL6783108 0.83 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL6773174 0.83 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL7347469 0.80 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2L3MBTL1CASP6
SCHEMBL6782957 0.80 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2L3MBTL1CASP6
SCHEMBL7346500 0.80 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT

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