SCHEMBL4656255

SCHEMBL4656255

CC(c1ccccc1)n1c(C(=O)Nc2ccc3c(ccn3C)c2)cc2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAOB P27338 2/20 0.44
NOTUM Q6P988 1/20 0.44
HTR2B P41595 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2C P28335 4/20 0.41
AHR P35869 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM4 Q14833 1/20 0.39

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
SCHEMBL3569671 0.89 MEN1 (0.53) MEN1KMT2AMAOBNOTUMHTR2B
SCHEMBL2811261 0.81 HTR2B (0.47) MEN1KMT2AMAOBNOTUMHTR2B
SCHEMBL4657644 0.80 ECE1 (0.52) NOTUMPTGDR2ECE1
SCHEMBL4656256 0.79 ECE1 (0.62) NOTUMALDH1A1PTGDR2TSHRECE1
SCHEMBL4656147 0.77 ECE1 (0.55) NOTUMALDH1A1PTGDR2TSHRECE1
SCHEMBL4656319 0.77 ECE1 (0.50) MEN1KMT2AMAOBNOTUMHTR2B
SCHEMBL4655406 0.77 ECE1 (0.54) MEN1KMT2AMAOBNOTUMHTR2B
SCHEMBL926859 0.76 GRM4 (0.49) MEN1KMT2AMAOBNOTUMHTR2B
SCHEMBL4655323 0.76 ECE1 (0.63) ECE1
SCHEMBL4655399 0.76 ECE1 (0.53) PTGDR2ECE1

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