SCHEMBL6188460

SCHEMBL6188460

Cc1cccc(C)c1C(=O)c1c(C)[nH]c2ccc(NC(=O)C3CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
STK17B O94768 2/20 0.46
STK17A Q9UEE5 2/20 0.46
DAPK3 O43293 1/20 0.46
DAPK1 P53355 1/20 0.46
DAPK2 Q9UIK4 1/20 0.46
ULK1 O75385 3/20 0.46
BRD4 O60885 1/20 0.45
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
PDPK1 O15530 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
GBA1 P04062 1/20 0.41

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
SCHEMBL6187132 0.96 MAOA (0.50) MAOAMAOBSTK17BSTK17ADAPK3
SCHEMBL6189454 0.96 MAOA (0.53) MAOAMAOBSTK17BSTK17AULK1
SCHEMBL6188606 0.95 MAOA (0.55) MAOAMAOBSTK17BSTK17AGAA
SCHEMBL6189327 0.90 HPGD (0.46) MAOAMAOBSTK17BSTK17ADAPK3
SCHEMBL6184788 0.89 MAOA (0.45) MAOAMAOBSTK17BSTK17ADAPK3
SCHEMBL6187035 0.89 PARP1 (0.48) MAOAMAOBSTK17BSTK17ADAPK3
SCHEMBL6186285 0.86 MAOA (0.49) MAOAMAOBSTK17BSTK17AULK1
SCHEMBL6187433 0.85 MAOB (0.43) MAOAMAOBSTK17BSTK17ADAPK3
SCHEMBL6185134 0.85 MAOA (0.54) MAOAMAOBSTK17BSTK17ALMNA
SCHEMBL6189884 0.85 MAOA (0.48) MAOAMAOBSTK17BSTK17ADAPK3

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-1554271-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2005-07-20 EP disclosed
WO-2004035571-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2004-04-29 WO disclosed