SCHEMBL16560587

SCHEMBL16560587

O=S(=O)(O)OCCS(=O)(=O)c1cccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c34)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT8 Q9BYC5 1/20 0.46
CHAT P28329 3/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
CA9 Q16790 9/20 0.39
CA12 O43570 8/20 0.39
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
APEX1 P27695 2/20 0.38
PTK2 Q05397 2/20 0.36
USP2 O75604 1/20 0.36
NSD2 O96028 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
PTPN11 Q06124 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
SCHEMBL16557839 0.94 FUT8 (0.44) FUT8CHATENPP3ENPP1CA9
SCHEMBL16560585 0.91 MEN1 (0.39) FUT8CHATENPP3ENPP1CA9
SCHEMBL12136684 0.91 FUT8 (0.41) FUT8CHATENPP3ENPP1CA9
SCHEMBL16560589 0.90 FUT8 (0.50) FUT8CHATCA9CA12CA1
SCHEMBL5377544 0.89 FUT8 (0.55) FUT8CHATENPP3ENPP1CA9
SCHEMBL16560576 0.87 NSD2 (0.52) FUT8CHATENPP3ENPP1CA9
SCHEMBL16557838 0.86 FUT8 (0.48) FUT8CHATENPP3ENPP1CA9
SCHEMBL16557825 0.85 FUT8 (0.35) FUT8CHATENPP3ENPP1CA9
SCHEMBL22375835 0.84 CA9 (0.49) CHATENPP3ENPP1CA9CA12
SCHEMBL3699268 0.84 FUT8 (0.61) FUT8CHATENPP3ENPP1CA2

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