SCHEMBL16557840

SCHEMBL16557840

Nc1c(N=Nc2ccc(Nc3nc(F)nc(Nc4cccc(S(=O)(=O)O)c4)n3)cc2)c(S(=O)(=O)O)cc2cccc(O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.43
▸ ENPP2 Q13822 8/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ CHAT P28329 3/20 0.40
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DNASE1L3 Q13609 1/20 0.38
▸ SUMO2 P61956 1/20 0.38
▸ SUMO1 P63165 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP2 Q9HC62 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA7 P43166 1/20 0.37

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
SCHEMBL16557867 0.93 ENPP2 (0.45) FUT8ENPP2PHLPP2CYP1A2CYP2C9
SCHEMBL17928436 0.92 ENPP2 (0.43) FUT8ENPP2PHLPP2CYP1A2CYP2C9
SCHEMBL16557864 0.92 FUT8 (0.52) FUT8ENPP2PHLPP2CHATENPP3
SCHEMBL16557843 0.90 THRB (0.45) FUT8ENPP2PHLPP2CHATENPP3
SCHEMBL16557866 0.85 THRB (0.50) FUT8ENPP2PHLPP2SUMO2SUMO1
SCHEMBL16557837 0.84 FUT8 (0.53) FUT8ENPP2PHLPP2CHATENPP3
SCHEMBL16560655 0.84 FUT8 (0.49) FUT8ENPP2PHLPP2CHATENPP3
SCHEMBL16557869 0.82 FUT8 (0.44) FUT8ENPP2PHLPP2CHATENPP3
SCHEMBL16560654 0.81 FUT8 (0.53) FUT8ENPP2PHLPP2CHATCYP1A2
SCHEMBL3433650 0.80 SUMO2 (0.56) ENPP2PHLPP2CYP1A2CYP2C9MAPK1

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-9394445-B2 Method for continuously preparing water-soluble azo dye by coupling a nebulizer with a pipeline DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2016-07-19 — — US disclosed
US-20150073132-A1 METHOD FOR CONTINUOUSLY PREPARING WATER-SOLUBLE AZO DYE BY COUPLING A NEBULIZER WITH A PIPELINE DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-03-12 — — US disclosed
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