SCHEMBL16560669

SCHEMBL16560669

Nc1c(N=Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)O)c4)n3)cc2S(=O)(=O)O)cc(S(=O)(=O)O)c2cccc(O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 3/20 0.42
▸ ENPP3 O14638 1/20 0.42
▸ ENPP1 P22413 1/20 0.42
▸ FUT8 Q9BYC5 1/20 0.40
▸ CA9 Q16790 10/20 0.37
▸ CA12 O43570 9/20 0.37
▸ CA1 P00915 9/20 0.37
▸ CA2 P00918 9/20 0.37
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ P2RY2 P41231 1/20 0.35
▸ P2RY4 P51582 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ P2RY13 Q9BPV8 1/20 0.35
▸ P2RY12 Q9H244 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
SCHEMBL16560626 0.95 FUT8 (0.42) CHATENPP3ENPP1FUT8CA9
SCHEMBL16557852 0.94 FUT8 (0.41) CHATENPP3ENPP1FUT8CA9
SCHEMBL16560628 0.90 CHAT (0.51) CHATENPP3ENPP1FUT8CA9
SCHEMBL16557871 0.88 FUT8 (0.42) CHATFUT8CA9CA12CA1
SCHEMBL16560627 0.86 FUT8 (0.47) CHATENPP3ENPP1FUT8CA9
SCHEMBL16560625 0.86 FUT8 (0.44) CHATENPP3ENPP1FUT8CA9
SCHEMBL16560632 0.84 FUT8 (0.51) CHATENPP3ENPP1FUT8CA9
SCHEMBL13892261 0.83 SENP2 (0.41) APEX1MEN1THRBKMT2AENPP2
SCHEMBL16557846 0.83 CHAT (0.48) CHATENPP3ENPP1FUT8CA9
SCHEMBL16557850 0.81 THRB (0.41) CHATFUT8CA9CA12CA1

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
Send feedback