SCHEMBL9612337

SCHEMBL9612337

COc1cc(N=Nc2ccc(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)c(C)c3)c3cc(S(=O)(=O)O)ccc23)c(C)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.55
PHLPP2 Q6ZVD8 2/20 0.53
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSD17B10 Q99714 1/20 0.52
SENP3 Q9H4L4 5/20 0.49
SENP2 Q9HC62 5/20 0.49
SENP1 Q9P0U3 5/20 0.49
SUMO2 P61956 3/20 0.49
SUMO1 P63165 3/20 0.49
SENP7 Q9BQF6 3/20 0.49
SLC7A11 Q9UPY5 1/20 0.43
RPS6KA3 P51812 1/20 0.41
GLO1 Q04760 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HIF1A Q16665 2/20 0.40

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
SCHEMBL15316263 0.95 ENPP2 (0.53) ENPP2PHLPP2CYP2C9CYP2C19HSD17B10
SCHEMBL9612312 0.93 ENPP2 (0.53) ENPP2PHLPP2CYP2C9CYP2C19HSD17B10
SCHEMBL15316256 0.91 ENPP2 (0.51) ENPP2PHLPP2CYP2C9CYP2C19HSD17B10
SCHEMBL15296907 0.89 ENPP2 (0.57) ENPP2PHLPP2CYP2C9CYP2C19HSD17B10
SCHEMBL9462033 0.88 ENPP2 (0.54) ENPP2PHLPP2CYP2C9CYP2C19HSD17B10
SCHEMBL6123773 0.88 ENPP2 (0.54) ENPP2PHLPP2CYP2C9CYP2C19HSD17B10
SCHEMBL12758033 0.87 ENPP2 (0.54) ENPP2PHLPP2CYP2C9CYP2C19HSD17B10
SCHEMBL19235104 0.87 ENPP2 (0.57) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL20735480 0.86 PHLPP2 (0.47) ENPP2PHLPP2CYP2C9CYP2C19HSD17B10
SCHEMBL9174616 0.86 ENPP2 (0.55) ENPP2PHLPP2CYP2C9CYP2C19HSD17B10

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
EP-2457955-B1 Trisazo dyes for paper dyeing KEMIRA OYJ (FI) 2017-08-09 EP disclosed
US-9023118-B2 Azo dyes KEMIRA OYJ (FI) 2015-05-05 US disclosed
US-20130269124-A1 AZO DYES CHROMASCAPE, LLC 2013-10-17 US disclosed
WO-2012072635-A1 AZO DYES KEMIRA OYJ (FI) 2012-06-07 WO disclosed
EP-2457955-A1 Trisazo dyes for paper dyeing Kemira Oyj (FI) 2012-05-30 EP disclosed