SCHEMBL16560640

SCHEMBL16560640

Nc1c(N=Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.53
▸ ENPP2 Q13822 5/20 0.43
▸ THRB P10828 2/20 0.41
▸ PRMT1 Q99873 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CHAT P28329 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL13069419 0.94 FUT8 (0.53) FUT8ENPP2THRBPRMT1CYP1A2
SCHEMBL16560632 0.94 FUT8 (0.51) FUT8ENPP2THRBPRMT1CYP1A2
SCHEMBL16560657 0.93 FUT8 (0.44) FUT8ENPP2THRBPRMT1CYP1A2
SCHEMBL9343981 0.88 FUT8 (0.59) FUT8ENPP2THRBPRMT1CYP1A2
SCHEMBL14514299 0.87 FUT8 (0.54) FUT8ENPP2THRBPRMT1CYP1A2
SCHEMBL16560663 0.87 FUT8 (0.64) FUT8ENPP2THRBPRMT1CYP1A2
SCHEMBL16626823 0.86 FUT8 (0.53) FUT8ENPP2THRBPRMT1CYP1A2
SCHEMBL16560577 0.86 FUT8 (0.45) FUT8ENPP2THRBPRMT1CHAT
SCHEMBL16560656 0.86 FUT8 (0.59) FUT8ENPP2THRBPRMT1CYP1A2
SCHEMBL13069596 0.85 CYP1A2 (0.51) ENPP2THRBPRMT1CYP1A2APEX1

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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