SCHEMBL14822673

SCHEMBL14822673

CN(CCC(=O)OCC#N)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.44
MAPT P10636 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCL1 Q07820 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13966044 0.91 MAPT (0.39) MMP14MAPTNPC1RAB9AMAPK1
SCHEMBL13966035 0.85 MAPT (0.45) MMP14MAPTNPC1RAB9AMAPK1
SCHEMBL5044621 0.83 MAPT (0.42) MMP14MAPTNPC1RAB9AMAPK1
SCHEMBL5044619 0.83 MAPT (0.42) MMP14MAPTNPC1RAB9AMAPK1
SCHEMBL12690229 0.79 MAPT (0.42) MMP14MAPTNPC1RAB9AMAPK1
SCHEMBL11295035 0.79 MAPT (0.42) MMP14MAPTNPC1RAB9AMAPK1
SCHEMBL16997052 0.78 MAPT (0.48) MMP14MAPTNPC1RAB9AMAPK1
SCHEMBL30887116 0.75 MMP14 (0.47) MMP14MAPTNPC1RAB9AMAPK1
SCHEMBL17305940 0.75 MAPK1 (0.36) MMP14MAPTNPC1RAB9AMAPK1
SCHEMBL11587913 0.74 MEN1 (0.54) MMP14MAPTNPC1RAB9AMAPK1

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-8409300-B2 Disperse azo dyes COLOURTEX INDUSTRIES LIMITED (IN) 2013-04-02 US disclosed