SCHEMBL15316263

SCHEMBL15316263

COc1cc(N=Nc2ccc(N=Nc3ccc(N=Nc4ccccc4)c(C)c3)c3cc(S(=O)(=O)O)ccc23)c(C)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.53
PHLPP2 Q6ZVD8 2/20 0.51
SENP2 Q9HC62 7/20 0.50
SENP1 Q9P0U3 7/20 0.50
SENP3 Q9H4L4 6/20 0.50
SUMO2 P61956 4/20 0.50
SUMO1 P63165 4/20 0.50
SENP7 Q9BQF6 4/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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 0.95 ENPP2 (0.55) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL9612312 0.92 ENPP2 (0.53) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL15316256 0.88 ENPP2 (0.51) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL15296907 0.87 ENPP2 (0.57) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL15316252 0.86 PHLPP2 (0.55) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL15293559 0.85 ENPP2 (0.50) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL15316253 0.84 PHLPP2 (0.54) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL19235104 0.84 ENPP2 (0.57) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL20735480 0.84 PHLPP2 (0.47) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL9174616 0.84 ENPP2 (0.55) ENPP2PHLPP2SENP2SENP1SENP3

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