SCHEMBL11764842

SCHEMBL11764842

Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 2/20 0.62
▸ 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
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL11764830 1.00 APEX1 (0.62) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11765761 0.92 APEX1 (0.65) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11765774 0.92 APEX1 (0.65) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11764704 0.87 APEX1 (0.58) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11764688 0.87 APEX1 (0.58) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11758267 0.85 APEX1 (0.77) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL3410648 0.85 APEX1 (0.77) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11759303 0.83 ENPP2 (0.65) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11759329 0.83 ENPP2 (0.65) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL10940511 0.83 ENPP2 (0.76) 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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