SCHEMBL11758372

SCHEMBL11758372

Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)O

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.87
▸ APEX1 P27695 2/20 0.59
▸ SUMO2 P61956 1/20 0.48
▸ SUMO1 P63165 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP2 Q9HC62 1/20 0.48
▸ CASP6 P55212 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ CD40 P25942 3/20 0.46
▸ CD40LG P29965 3/20 0.46
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ NT5E P21589 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
SCHEMBL11763856 0.93 ENPP2 (0.96) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11758959 0.89 ENPP2 (0.91) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11758945 0.89 ENPP2 (0.91) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL3410648 0.87 APEX1 (0.77) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11758267 0.87 APEX1 (0.77) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL29637807 0.86 ENPP2 (0.85) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL30716918 0.86 ENPP2 (0.85) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL10891071 0.86 ENPP2 (0.85) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11594349 0.86 ENPP2 (0.85) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL10891093 0.86 ENPP2 (0.85) ENPP2APEX1SUMO2SUMO1SENP7

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-4008320-A Amidophenyl-azo-naphthalenesulfonic complement inhibitors and method of use thereof AMERICAN CYANAMID COMPANY (US) 1977-02-15 — — US claimed
US-4008320-A Amidophenyl-azo-naphthalenesulfonic complement inhibitors and method of use thereof AMERICAN CYANAMID COMPANY (US) 1977-02-15 — — US disclosed
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