SCHEMBL9612295

SCHEMBL9612295

Cc1cc(N=Nc2ccc(N=Nc3ccc(O)cc3)c3ccc(S(=O)(=O)O)cc23)ccc1N=Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 1/20 0.64
HSD17B10 Q99714 1/20 0.64
PHLPP2 Q6ZVD8 3/20 0.54
RPS6KA3 P51812 1/20 0.52
SENP3 Q9H4L4 4/20 0.49
SENP2 Q9HC62 4/20 0.49
SENP1 Q9P0U3 4/20 0.49
SUMO2 P61956 2/20 0.49
SUMO1 P63165 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HIF1A Q16665 1/20 0.49
GLO1 Q04760 3/20 0.47
CYP1A2 P05177 1/20 0.46
ENPP2 Q13822 1/20 0.45
ATIC P31939 1/20 0.44
BRD4 O60885 1/20 0.43
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL15316262 0.94 CYP2C9 (0.60) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3
SCHEMBL9612268 0.93 CYP2C9 (0.56) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3
SCHEMBL9612280 0.91 CYP2C9 (0.57) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3
SCHEMBL9612279 0.91 CYP2C9 (0.54) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3
SCHEMBL9612278 0.89 PHLPP2 (0.58) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3
SCHEMBL15316265 0.88 CYP2C9 (0.54) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3
SCHEMBL15316257 0.88 CYP2C9 (0.53) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3
SCHEMBL16687355 0.86 PHLPP2 (0.52) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3
SCHEMBL9612296 0.85 CYP2C9 (0.51) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3
SCHEMBL9612298 0.85 PHLPP2 (0.57) CYP2C9CYP2C19HSD17B10PHLPP2RPS6KA3

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