SCHEMBL11543404

SCHEMBL11543404

N#CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KMT2A Q03164 2/20 0.61
CCNE1 P24864 7/20 0.56
CDK2 P24941 7/20 0.56
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PKM P14618 1/20 0.45
AURKA O14965 1/20 0.45
PTGS2 P35354 3/20 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
SCHEMBL11245692 0.95 RAB9A (0.69) MEN1NPC1RAB9AKMT2ACCNE1
SCHEMBL11240095 0.90 KDM4E (0.60) MEN1NPC1RAB9AKMT2ACCNE1
SCHEMBL11255300 0.86 ALDH1A1 (0.55) MEN1NPC1RAB9AKMT2ACCNE1
SCHEMBL11245465 0.86 KDM4E (0.57) KMT2ACCNE1CDK2KDM4EALDH1A1
SCHEMBL16040449 0.85 CCNE1 (0.46) MEN1NPC1RAB9AKMT2ACCNE1
SCHEMBL29528342 0.83 RAB9A (0.68) MEN1NPC1RAB9AKMT2ACCNE1
SCHEMBL11247889 0.82 RAB9A (0.89) MEN1NPC1RAB9AKMT2ACCNE1
SCHEMBL11247047 0.81 KDM4E (0.64) MEN1NPC1RAB9AKMT2ACCNE1
SCHEMBL11249486 0.81 KMT2A (0.69) MEN1NPC1RAB9AKMT2ACCNE1
SCHEMBL11250798 0.81 ALDH1A1 (0.62) MEN1NPC1RAB9AKMT2ACCNE1

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
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed