SCHEMBL4656242

SCHEMBL4656242

Cc1cccc(-n2c(C(=O)Nc3ccc4c(ccn4C)c3)cc3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.49
NOTUM Q6P988 1/20 0.47
HTR2C P28335 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 3/20 0.45
MAPT P10636 3/20 0.45
HTR2B P41595 3/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
RECQL P46063 2/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL4655315 0.92 ECE1 (0.48) ECE1NOTUMHTR2CMEN1KMT2A
SCHEMBL4656220 0.90 ECE1 (0.59) ECE1NOTUMHTR2CMEN1KMT2A
SCHEMBL4655241 0.88 NOTUM (0.49) ECE1NOTUMHTR2CMEN1KMT2A
SCHEMBL28788204 0.86 ECE1 (0.48) ECE1NOTUMHTR2CMEN1KMT2A
SCHEMBL3569792 0.86 PLA2G10 (0.58) ECE1NOTUMHTR2CMEN1KMT2A
SCHEMBL4656319 0.84 ECE1 (0.50) ECE1NOTUMHTR2CMEN1KMT2A
SCHEMBL4655331 0.84 MAOB (0.51) ECE1NOTUMHTR2CMEN1KMT2A
SCHEMBL4655285 0.84 ECE1 (0.53) ECE1NOTUMHTR2CMEN1KMT2A
SCHEMBL4655419 0.84 CFTR (0.47) ECE1NOTUMHTR2CMEN1KMT2A
SCHEMBL3571160 0.82 ECE1 (0.48) ECE1NOTUMHTR2CMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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