SCHEMBL4656158

SCHEMBL4656158

COc1cc(OC)c2cc(C(=O)Nc3ccc4c(ccn4C)c3)n(Cc3cccc(F)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 2/20 0.42
ABCB1 P08183 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 2/20 0.40
PPARG P37231 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL4656270 0.91 F10 (0.46) MAOBKDM4ELMNAMAPTMEN1
SCHEMBL4655397 0.88 MAOB (0.48) MAOBKDM4ELMNAMAPTMEN1
SCHEMBL4655329 0.87 ECE1 (0.49) MAOBKDM4ELMNAMAPTABCB1
SCHEMBL4655353 0.87 ABCB1 (0.48) MAOBKDM4ELMNAMAPTMEN1
SCHEMBL4655294 0.84 MAOB (0.48) MAOBEPHX2PPARGECE1EGFR
SCHEMBL4655350 0.83 CCR2 (0.51) MAOBKDM4ELMNAMAPTMEN1
SCHEMBL4655389 0.83 MAOB (0.47) MAOBEPHX2PPARGTP53NOTUM
SCHEMBL3579347 0.83 ECE1 (0.51) MAOBABCB1NOTUMECE1
SCHEMBL4655292 0.83 MAOB (0.50) MAOBKDM4EMAPTMEN1CYP1A2
SCHEMBL4655386 0.83 ECE1 (0.51) MAOBALDH1A1PPARGNOTUMECE1

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
CN-101010297-B N- (1H-indolyl) -1H-indole-2-carboxamide derivatives, their preparation and their pharmaceutical use SANOFI AVENTIS 2011-07-27 CN claimed
EP-1776340-B1 N-(1H-INDOLYL)-H-INDOLE-2-CARB0XAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2008-12-03 EP claimed