SCHEMBL5044619

SCHEMBL5044619

CCN(CCC(=O)OCC#N)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RECQL P46063 1/20 0.42
MMP14 P50281 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALDH1A1 P00352 7/20 0.34

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
SCHEMBL5044621 1.00 MAPT (0.42) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL13966035 0.94 MAPT (0.45) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL13966044 0.89 MAPT (0.39) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL18021109 0.87 MAPT (0.33) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL23259594 0.84 MAPT (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL22974892 0.84 MAPT (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14822673 0.83 MMP14 (0.44) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL5048728 0.83 MAPT (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL5048725 0.83 MAPT (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL12690326 0.82 MAPT (0.49) MAPTKMT2AMEN1NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358345-B2 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-04-15 US disclosed
US-7358345-B2 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-04-15 US disclosed
US-7358345-B2 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-04-15 US disclosed
US-20070050928-A1 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-03-08 US disclosed
US-20070050928-A1 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-03-08 US disclosed