SCHEMBL15316256

SCHEMBL15316256

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.51
PHLPP2 Q6ZVD8 2/20 0.47
SENP3 Q9H4L4 6/20 0.46
SENP2 Q9HC62 6/20 0.46
SENP1 Q9P0U3 6/20 0.46
SUMO2 P61956 3/20 0.46
SUMO1 P63165 3/20 0.46
SENP7 Q9BQF6 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9612337 0.91 ENPP2 (0.55) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL15316263 0.88 ENPP2 (0.53) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL15316264 0.88 PHLPP2 (0.50) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL15316259 0.87 PHLPP2 (0.49) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL16687357 0.86 PHLPP2 (0.47) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL9612312 0.86 ENPP2 (0.53) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL15316265 0.85 CYP2C9 (0.54) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL15316258 0.84 CYP2C9 (0.48) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL15296907 0.83 ENPP2 (0.57) ENPP2PHLPP2SENP3SENP2SENP1
SCHEMBL19628854 0.82 MEN1 (0.44) ENPP2CYP2C9CYP2C19ALDH1A1HIF1A

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-9023118-B2 Azo dyes KEMIRA OYJ (FI) 2015-05-05 US disclosed
US-20130269124-A1 AZO DYES CHROMASCAPE, LLC 2013-10-17 US disclosed