SCHEMBL11848229

SCHEMBL11848229

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 2/20 0.62
▸ SUMO2 P61956 2/20 0.54
▸ SUMO1 P63165 2/20 0.54
▸ SENP7 Q9BQF6 2/20 0.54
▸ SENP2 Q9HC62 2/20 0.54
▸ ENPP2 Q13822 5/20 0.53
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ SENP3 Q9H4L4 1/20 0.46
▸ SENP1 Q9P0U3 1/20 0.46
▸ CASP6 P55212 2/20 0.43

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
SCHEMBL11848224 1.00 APEX1 (0.62) APEX1SUMO2SUMO1SENP7SENP2
SCHEMBL11758267 0.90 APEX1 (0.77) APEX1SUMO2SUMO1SENP7SENP2
SCHEMBL3410648 0.90 APEX1 (0.77) APEX1SUMO2SUMO1SENP7SENP2
SCHEMBL27824530 0.81 APEX1 (0.64) APEX1SUMO2SUMO1SENP7SENP2
SCHEMBL10769149 0.79 ENPP2 (0.63) APEX1SUMO2SUMO1SENP7SENP2
SCHEMBL12810338 0.79 APEX1 (0.61) APEX1SUMO2SUMO1SENP7SENP2
SCHEMBL8654495 0.78 CYP1A2 (0.52) APEX1ENPP2CYP1A2CYP2C9CYP2C19
SCHEMBL8654499 0.78 CYP1A2 (0.52) APEX1ENPP2CYP1A2CYP2C9CYP2C19
SCHEMBL15281245 0.78 APEX1 (0.55) APEX1SUMO2SUMO1SENP7SENP2
SCHEMBL11758372 0.78 ENPP2 (0.87) APEX1SUMO2SUMO1SENP7SENP2

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-3998957-A 1,1'-(UREYLENEBIS(SULFO-P-PHENYLENE)BISSULFO-1H,8H-INDAZOLO(2,3,4-CDE)BENZOTRIAZOL-9-IUM HYDROXIDE)INNER SALT AMERICAN CYANAMID COMPANY (US) 1976-12-21 — — US disclosed
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