SCHEMBL4656270

SCHEMBL4656270

COc1cccc2c1cc(C(=O)Nc1ccc3c(ccn3C)c1)n2Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CNR1 P21554 2/20 0.46
MAOB P27338 1/20 0.46
CCR2 P41597 1/20 0.45
NOTUM Q6P988 1/20 0.44
ABCB1 P08183 1/20 0.43
ECE1 P42892 1/20 0.41
HCRTR1 O43613 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4656158 0.91 MAOB (0.46) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL4655294 0.90 MAOB (0.48) F10MAOBCCR2ECE1
SCHEMBL4655400 0.89 PPARG (0.49) F10MAPTCCR2ABCB1
SCHEMBL4655353 0.89 ABCB1 (0.48) F10KDM4EMEN1LMNAMAPT
SCHEMBL4655389 0.89 MAOB (0.47) F10MAOBNOTUMECE1TP53
SCHEMBL4655386 0.87 ECE1 (0.51) F10MAOBCCR2NOTUMECE1
SCHEMBL3579347 0.87 ECE1 (0.51) F10MAOBCCR2NOTUMABCB1
SCHEMBL4655292 0.87 MAOB (0.50) F10KDM4EMEN1MAPTKMT2A
SCHEMBL4655329 0.85 ECE1 (0.49) F10KDM4ELMNAMAPTMAOB
SCHEMBL4655397 0.85 MAOB (0.48) F10KDM4EMEN1LMNAMAPT

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