SCHEMBL17929009

SCHEMBL17929009

Nc1c(N=Nc2ccc(Nc3nc(F)nc(F)n3)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.52
▸ PRMT1 Q99873 1/20 0.50
▸ CYP1A2 P05177 2/20 0.49
▸ FUT8 Q9BYC5 1/20 0.49
▸ CYP2C9 P11712 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ DNASE1L3 Q13609 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL16560654 0.94 FUT8 (0.53) ENPP2PRMT1CYP1A2FUT8CYP2C9
SCHEMBL16560655 0.94 FUT8 (0.49) ENPP2PRMT1CYP1A2FUT8CYP2C9
SCHEMBL9343981 0.89 FUT8 (0.59) ENPP2PRMT1CYP1A2FUT8CYP2C9
SCHEMBL16560657 0.88 FUT8 (0.44) ENPP2PRMT1CYP1A2FUT8CYP2C9
SCHEMBL16560656 0.85 FUT8 (0.59) ENPP2PRMT1CYP1A2FUT8CYP2C9
SCHEMBL16560663 0.85 FUT8 (0.64) ENPP2PRMT1CYP1A2FUT8CYP2C9
SCHEMBL16560584 0.83 ENPP2 (0.53) ENPP2PRMT1CYP1A2FUT8CYP2C9
SCHEMBL14038348 0.82 FUT8 (0.57) ENPP2PRMT1CYP1A2FUT8CYP2C9
SCHEMBL9116929 0.82 FUT8 (0.59) ENPP2PRMT1CYP1A2FUT8CYP2C9
SCHEMBL16560662 0.82 ENPP2 (0.47) ENPP2PRMT1CYP1A2FUT8CYP2C9

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-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
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