SCHEMBL17089143

SCHEMBL17089143

O=[N+]([O-])c1cc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.50
▸ CD40LG P29965 1/20 0.50
▸ CYP1A2 P05177 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ENPP2 Q13822 9/20 0.47
▸ PRMT1 Q99873 2/20 0.47
▸ HPGD P15428 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46

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
Phenaphthazine SCHEMBL1554804 0.90 CYP1A2 (0.53) CD40CD40LGCYP1A2ALDH1A1HIF1A
Phenaphthazine SCHEMBL8380113 0.90 CYP1A2 (0.53) CD40CD40LGCYP1A2ALDH1A1HIF1A
Phenaphthazine SCHEMBL3962052 0.90 CYP1A2 (0.53) CD40CD40LGCYP1A2ALDH1A1HIF1A
Phenaphthazine SCHEMBL8380111 0.89 CYP1A2 (0.52) CD40CD40LGCYP1A2ALDH1A1HIF1A
SCHEMBL20746881 0.88 CD40 (0.50) CD40CD40LGCYP1A2ALDH1A1HIF1A
SCHEMBL17088271 0.87 CYP1A2 (0.52) CYP1A2ALDH1A1HIF1ATDP1MEN1
SCHEMBL24026836 0.87 ENPP2 (0.51) CD40CD40LGCYP1A2ALDH1A1HIF1A
SCHEMBL29868768 0.86 CYP1A2 (0.57) CYP1A2ALDH1A1HIF1ATDP1MEN1
SCHEMBL4954382 0.86 CYP1A2 (0.57) CYP1A2ALDH1A1HIF1ATDP1MEN1
SCHEMBL4954369 0.86 CYP1A2 (0.57) CYP1A2ALDH1A1HIF1ATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139954-B2 Aqueous coloring composition for textile printing, textile printing method, and fabric FUJIFILM CORPORATION (JP) 2015-09-22 — — US disclosed
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