SCHEMBL414245

SCHEMBL414245

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc([N+](=O)[O-])cc4)c4ccc(S(=O)(=O)O)cc34)ccc2cc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
HSD17B10 Q99714 2/20 0.55
SENP2 Q9HC62 7/20 0.52
SENP3 Q9H4L4 6/20 0.52
SENP1 Q9P0U3 6/20 0.52
SUMO2 P61956 5/20 0.52
SUMO1 P63165 5/20 0.52
SENP7 Q9BQF6 5/20 0.52
PHLPP2 Q6ZVD8 1/20 0.52
ENPP2 Q13822 3/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
CSNK2A1 P68400 1/20 0.48
MEN1 O00255 2/20 0.44

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
SCHEMBL15127517 0.92 ENPP2 (0.54) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL11926249 0.88 CYP2C9 (0.56) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL416366 0.87 CYP2C9 (0.55) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL416249 0.85 CYP2C9 (0.56) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL416360 0.85 CYP2C9 (0.53) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL9331731 0.84 MEN1 (0.48) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL9331743 0.84 MEN1 (0.48) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL8931789 0.84 CYP2C9 (0.45) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL9331856 0.83 MEN1 (0.50) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL9331864 0.83 MEN1 (0.50) CYP2C9CYP2C19HSD17B10SENP2SENP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741190-B2 Process for producing water-resistant polarizing film NITTO DENKO CORPORATION (JP) 2014-06-03 US disclosed
US-8734677-B2 Liquid-crystal coating fluid and polarizing film NITTO DENKO CORPORATION (JP) 2014-05-27 US disclosed
US-20130277871-A1 PROCESS FOR PRODUCING WATER-RESISTANT POLARIZING FILM NITTO DENKO CORPRATION (JP) 2013-10-24 US disclosed
US-20120062829-A1 LIQUID-CRYSTAL COATING FLUID AND POLARIZING FILM NITTO DENKO CORPORATION (JP) 2012-03-15 US disclosed