SCHEMBL10769149

SCHEMBL10769149

Nc1c(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.63
▸ APEX1 P27695 2/20 0.59
▸ CYP1A2 P05177 3/20 0.54
▸ PRMT1 Q99873 2/20 0.53
▸ CYP2C9 P11712 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ DNASE1L3 Q13609 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NT5E P21589 1/20 0.44

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
SCHEMBL4627537 0.94 ENPP2 (0.63) ENPP2APEX1CYP1A2PRMT1CYP2C9
SCHEMBL2028368 0.94 ENPP2 (0.63) ENPP2APEX1CYP1A2PRMT1CYP2C9
SCHEMBL12810338 0.92 APEX1 (0.61) ENPP2APEX1CYP1A2PRMT1CYP2C9
SCHEMBL16062713 0.89 ENPP2 (0.62) ENPP2APEX1CYP1A2PRMT1CYP2C9
SCHEMBL16062720 0.89 ENPP2 (0.62) ENPP2APEX1CYP1A2PRMT1CYP2C9
SCHEMBL10380130 0.88 ENPP2 (0.78) ENPP2APEX1CYP1A2PRMT1CYP2C9
SCHEMBL15153907 0.88 ENPP2 (0.78) ENPP2APEX1CYP1A2PRMT1CYP2C9
SCHEMBL8819426 0.88 ENPP2 (0.78) ENPP2APEX1CYP1A2PRMT1CYP2C9
SCHEMBL16062714 0.87 ENPP2 (0.60) ENPP2APEX1CYP1A2PRMT1CYP2C9
SCHEMBL11758267 0.87 APEX1 (0.77) ENPP2APEX1CYP1A2PRMT1CYP2C9

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
EP-0225730-A2 Reactive Dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-16 — — EP disclosed
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