SCHEMBL4254803

SCHEMBL4254803

Nc1ccc(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
HSD17B10 Q99714 3/20 0.57
PHLPP2 Q6ZVD8 1/20 0.56
SENP3 Q9H4L4 6/20 0.54
SENP2 Q9HC62 6/20 0.54
SENP1 Q9P0U3 6/20 0.54
SUMO2 P61956 4/20 0.54
SUMO1 P63165 4/20 0.54
SENP7 Q9BQF6 4/20 0.54
APEX1 P27695 1/20 0.48
NT5E P21589 1/20 0.48
PRMT1 Q99873 1/20 0.45
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 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
SCHEMBL4254801 1.00 CYP2C9 (0.57) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL20735468 0.89 HSD17B10 (0.65) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL11402526 0.89 HSD17B10 (0.65) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL20735481 0.87 CYP2C9 (0.64) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL15281245 0.86 APEX1 (0.55) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL12177951 0.85 CYP2C9 (0.61) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL9331743 0.83 MEN1 (0.48) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL9331731 0.83 MEN1 (0.48) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL2589316 0.82 HSD17B10 (0.64) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL2589319 0.82 HSD17B10 (0.64) CYP2C9CYP2C19HSD17B10PHLPP2SENP3

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-20090017278-A1 Ink-Jet Printing Using Disazo Dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-15 US disclosed
WO-2007091006-A2 INK-JET PRINTING USING DISAZO DYES FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-08-16 WO disclosed