SCHEMBL12810338

SCHEMBL12810338

Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 2/20 0.61
▸ ENPP2 Q13822 7/20 0.58
▸ CYP1A2 P05177 3/20 0.52
▸ PRMT1 Q99873 2/20 0.50
▸ SUMO2 P61956 2/20 0.47
▸ SUMO1 P63165 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP2 Q9HC62 2/20 0.47
▸ SENP3 Q9H4L4 1/20 0.47
▸ SENP1 Q9P0U3 1/20 0.47
▸ CYP2C9 P11712 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ DNASE1L3 Q13609 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CYP2C19 P33261 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
SCHEMBL10769149 0.92 ENPP2 (0.63) APEX1ENPP2CYP1A2PRMT1SUMO2
SCHEMBL11758267 0.89 APEX1 (0.77) APEX1ENPP2CYP1A2PRMT1SUMO2
SCHEMBL3410648 0.89 APEX1 (0.77) APEX1ENPP2CYP1A2PRMT1SUMO2
SCHEMBL4627537 0.86 ENPP2 (0.63) APEX1ENPP2CYP1A2PRMT1SUMO2
SCHEMBL2028368 0.86 ENPP2 (0.63) APEX1ENPP2CYP1A2PRMT1SUMO2
SCHEMBL12810368 0.85 CYP1A2 (0.57) APEX1ENPP2CYP1A2PRMT1SUMO2
SCHEMBL13763488 0.83 CYP1A2 (0.55) APEX1ENPP2CYP1A2PRMT1SUMO2
SCHEMBL16062720 0.83 ENPP2 (0.62) APEX1ENPP2CYP1A2PRMT1SUMO2
SCHEMBL16062713 0.83 ENPP2 (0.62) APEX1ENPP2CYP1A2PRMT1SUMO2
SCHEMBL14495162 0.82 CYP1A2 (0.67) ENPP2CYP1A2PRMT1SUMO2SUMO1

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
EP-1453919-B1 REACTIVE AZO DYES, METHOD FOR THE PRODUCTION AND USE THEREOF DYSTAR COLOURS DEUTSCHLAND (DE) 2011-03-16 — — EP disclosed
EP-1514905-B1 High light fastness reactive red dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2007-02-28 — — EP disclosed
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