SCHEMBL3410648

SCHEMBL3410648

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 2/20 0.77
▸ ENPP2 Q13822 4/20 0.66
▸ SUMO2 P61956 2/20 0.57
▸ SUMO1 P63165 2/20 0.57
▸ SENP7 Q9BQF6 2/20 0.57
▸ SENP2 Q9HC62 2/20 0.57
▸ CYP1A2 P05177 4/20 0.50
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ PRMT1 Q99873 3/20 0.46
▸ SENP3 Q9H4L4 1/20 0.46
▸ SENP1 Q9P0U3 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
SCHEMBL11758267 1.00 APEX1 (0.77) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11848229 0.90 APEX1 (0.62) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11848224 0.90 APEX1 (0.62) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL12810338 0.89 APEX1 (0.61) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL27824530 0.88 APEX1 (0.64) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11765761 0.87 APEX1 (0.65) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11765774 0.87 APEX1 (0.65) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL10769149 0.87 ENPP2 (0.63) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL29378215 0.87 APEX1 (1.00) APEX1ENPP2SUMO2SUMO1SENP7
SCHEMBL11758372 0.87 ENPP2 (0.87) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261673-A1 METHOD FOR PREPARING CALIBRATING REAGENT, CALIBRATING REAGENT, AND METHOD FOR CALIBRATING BLOOD COMPONENT MEASURING DEVICE USING SAID CALIBRATING REAGENT Terumo Kabushiki Kaisha (JP) 2010-12-15 — — EP claimed
EP-2261673-A1 METHOD FOR PREPARING CALIBRATING REAGENT, CALIBRATING REAGENT, AND METHOD FOR CALIBRATING BLOOD COMPONENT MEASURING DEVICE USING SAID CALIBRATING REAGENT Terumo Kabushiki Kaisha (JP) 2010-12-15 — — EP disclosed
US-4061627-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-12-06 — — US disclosed
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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