SCHEMBL4655353

SCHEMBL4655353

COc1cc2cc(C(=O)Nc3ccc4c(ccn4C)c3)n(Cc3cccc(F)c3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOB P27338 1/20 0.46
ECE1 P42892 7/20 0.46
CNR1 P21554 1/20 0.44
HCRTR2 O43614 1/20 0.43
F10 P00742 1/20 0.43
NOTUM Q6P988 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 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
SCHEMBL4655397 0.90 MAOB (0.48) ABCB1MAPTKMT2AKDM4EMEN1
SCHEMBL4655329 0.90 ECE1 (0.49) ABCB1MAPTKDM4ELMNAMAOB
SCHEMBL3579347 0.89 ECE1 (0.51) ABCB1MAOBECE1F10NOTUM
SCHEMBL4655292 0.89 MAOB (0.50) MAPTKMT2AKDM4EMEN1CYP1A2
SCHEMBL4656270 0.89 F10 (0.46) ABCB1MAPTKMT2AKDM4EMEN1
SCHEMBL4655386 0.87 ECE1 (0.51) MAOBECE1F10NOTUMPPARG
SCHEMBL4655390 0.87 MAOB (0.50) ABCB1KDM4ENPSR1MAOBECE1
SCHEMBL4655266 0.87 ECE1 (0.56) MAPTKDM4ELMNANPSR1MAOB
SCHEMBL4655318 0.87 ECE1 (0.51) MAPTKDM4ENPSR1MAOBECE1
SCHEMBL4656158 0.87 MAOB (0.46) ABCB1MAPTKMT2AKDM4EMEN1

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