SCHEMBL14944476

SCHEMBL14944476

CCN(CCC(=O)OCC#N)c1ccc(N=Nc2cc(Cl)c(F)cc2Cl)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
PSMD14 O00487 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL18021109 0.81 MAPT (0.33) MAPTPSMD14NPC1MITFRAB9A
SCHEMBL14944478 0.78 MAPT (0.43) MAPTGAAPSMD14NPC1MITF
SCHEMBL5044619 0.78 MAPT (0.42) MAPTPSMD14NPC1MITFRAB9A
SCHEMBL5044621 0.78 MAPT (0.42) MAPTPSMD14NPC1MITFRAB9A
SCHEMBL15693759 0.77 MAPT (0.39) MAPTNPC1RAB9AKMT2ACETP
SCHEMBL17122032 0.77 MAPT (0.39) MAPTGAANPC1RAB9AKMT2A
SCHEMBL5048728 0.76 MAPT (0.41) MAPTGAANPC1RAB9AKMT2A
SCHEMBL5048725 0.76 MAPT (0.41) MAPTGAANPC1RAB9AKMT2A
SCHEMBL18021625 0.74 CHRM2 (0.33) MAPTGAA
SCHEMBL13966035 0.72 MAPT (0.45) MAPTGAANPC1MITFRAB9A

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-8506652-B2 Disperse dyes COLOURTEX INDUSTRIES LIMITED (IN) 2013-08-13 US disclosed
US-20130117947-A1 DISPERSE DYES COLOURTEX INDUSTRIES LIMITED (IN) 2013-05-16 US disclosed