SCHEMBL11245692

SCHEMBL11245692

N#CCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.69
MEN1 O00255 2/20 0.69
NPC1 O15118 2/20 0.69
KMT2A Q03164 2/20 0.69
CCNE1 P24864 9/20 0.63
CDK2 P24941 9/20 0.63
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 2/20 0.57
USP2 O75604 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 1/20 0.50
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
PTGS2 P35354 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL11543404 0.95 MEN1 (0.61) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL11240095 0.90 KDM4E (0.60) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL11247047 0.86 KDM4E (0.64) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL11250798 0.86 ALDH1A1 (0.62) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL11249486 0.86 KMT2A (0.69) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL11256945 0.83 RAB9A (0.71) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL11540126 0.83 MAPT (0.53) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL29528408 0.83 RAB9A (0.76) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL3407292 0.82 RAB9A (1.00) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL11247644 0.82 CA1 (0.53) RAB9AMEN1NPC1KMT2ACCNE1

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed