SCHEMBL11765774

SCHEMBL11765774

Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 2/20 0.65
▸ ENPP2 Q13822 2/20 0.56
▸ SUMO2 P61956 2/20 0.49
▸ SUMO1 P63165 2/20 0.49
▸ SENP7 Q9BQF6 2/20 0.49
▸ SENP2 Q9HC62 2/20 0.49
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ PRMT1 Q99873 3/20 0.41

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
SCHEMBL11765761 1.00 APEX1 (0.65) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11764830 0.92 APEX1 (0.62) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11764842 0.92 APEX1 (0.62) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL3410648 0.87 APEX1 (0.77) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11758267 0.87 APEX1 (0.77) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11767724 0.87 APEX1 (0.60) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11767738 0.87 APEX1 (0.60) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11764638 0.87 APEX1 (0.56) APEX1ENPP2CYP1A2CYP3A4ALOX15
SCHEMBL11764643 0.87 APEX1 (0.56) APEX1ENPP2CYP1A2CYP3A4ALOX15
SCHEMBL11759424 0.83 ENPP2 (0.68) APEX1ENPP2SUMO2SUMO1SENP7

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-4049640-A Substituted bisnaphthylazo diphenyl ureido complement inhibitors AMERICAN CYANAMID COMPANY (US) 1977-09-20 — — US disclosed
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