SCHEMBL6187433

SCHEMBL6187433

Cc1[nH]c2ccc(NC(=O)C3CC3)cc2c1C(=O)c1c(F)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
DAPK3 O43293 1/20 0.42
STK17B O94768 1/20 0.42
DAPK1 P53355 1/20 0.42
STK17A Q9UEE5 1/20 0.42
DAPK2 Q9UIK4 1/20 0.42
GAA P10253 3/20 0.42
MAOA P21397 1/20 0.42
MALT1 Q9UDY8 2/20 0.41
BRD4 O60885 1/20 0.41
NPC1 O15118 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
SCHEMBL6188627 0.96 MAOB (0.47) MAOBMAPTSMN1; SMN2STK17BSTK17A
SCHEMBL6187153 0.96 MAOB (0.45) MAOBMAPTSMN1; SMN2STK17BSTK17A
SCHEMBL6186848 0.95 MAOB (0.49) MAOBSMN1; SMN2LMNASTK17BSTK17A
SCHEMBL6184788 0.94 MAOA (0.45) MAOBMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6189327 0.93 HPGD (0.46) MAOBMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6185141 0.90 PARP1 (0.44) MAOBMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6189592 0.90 MAOA (0.51) MAOBSMN1; SMN2LMNAHPGDSTK17B
SCHEMBL6189884 0.90 MAOA (0.48) MAOBSMN1; SMN2DAPK3STK17BDAPK1
SCHEMBL6186285 0.89 MAOA (0.49) MAOBSMN1; SMN2STK17BSTK17AGAA
SCHEMBL6185134 0.88 MAOA (0.54) MAOBSMN1; SMN2LMNAHPGDSTK17B

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