SCHEMBL4656120

SCHEMBL4656120

Cn1ccc2cc(NC(=O)c3cc4ccccc4n3-c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.50
PLA2G10 O15496 1/20 0.44
MAOB P27338 1/20 0.43
NOTUM Q6P988 1/20 0.43
HTR2B P41595 3/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNQ4 P56696 2/20 0.43
KCNQ5 Q9NR82 2/20 0.43

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
SCHEMBL4655289 0.91 ECE1 (0.53) ECE1MAOBNOTUMHTR2BTP53
SCHEMBL3569792 0.90 PLA2G10 (0.58) ECE1PLA2G10MAOBNOTUMHTR2B
SCHEMBL4656319 0.89 ECE1 (0.50) ECE1MAOBNOTUMHTR2BTP53
SCHEMBL4656220 0.88 ECE1 (0.59) ECE1MAOBNOTUMHTR2BTP53
SCHEMBL4655331 0.87 MAOB (0.51) ECE1MAOBNOTUMHTR2BTP53
SCHEMBL4655285 0.87 ECE1 (0.53) ECE1MAOBNOTUMHTR2BTP53
SCHEMBL3571160 0.85 ECE1 (0.48) ECE1MAOBNOTUMHTR2BTP53
SCHEMBL4655301 0.85 ECE1 (0.48) ECE1MAOBNOTUMHTR2BTP53
SCHEMBL4655241 0.84 NOTUM (0.49) ECE1MAOBNOTUMHTR2BTP53
SCHEMBL4655315 0.83 ECE1 (0.48) ECE1MAOBNOTUMHTR2BTP53

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