SCHEMBL16624666

SCHEMBL16624666

Nc1c(/N=N/c2cccc(Nc3nc(Cl)nc(Nc4cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c4O)n3)c2)c(S(=O)(=O)O)cc2ccc(/N=N/c3ccccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.51
▸ ENPP2 Q13822 6/20 0.39
▸ THRB P10828 2/20 0.38
▸ CHAT P28329 3/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ P2RX7 Q99572 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HPGDS O60760 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 1/20 0.30
▸ P2RY2 P41231 1/20 0.30
▸ P2RY4 P51582 1/20 0.30

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
SCHEMBL16624649 0.84 FUT8 (0.52) FUT8ENPP2THRBCHATENPP3
SCHEMBL16624647 0.84 FUT8 (0.54) FUT8ENPP2THRBCHATENPP3
SCHEMBL16626832 0.83 FUT8 (0.55) FUT8ENPP2THRBCHATENPP3
SCHEMBL16624669 0.81 FUT8 (0.73) FUT8ENPP2THRBCYP1A2MEN1
SCHEMBL13481863 0.80 FUT8 (0.45) FUT8ENPP2THRBCHATENPP3
SCHEMBL12173026 0.79 FUT8 (0.74) FUT8ENPP2THRBCHATENPP3
SCHEMBL16626823 0.79 FUT8 (0.53) FUT8ENPP2THRBCHATENPP3
SCHEMBL16664577 0.79 FUT8 (0.51) FUT8ENPP2THRBCHATENPP3
SCHEMBL18218142 0.78 FUT8 (0.62) FUT8ENPP2THRBCHATENPP3
SCHEMBL14514299 0.78 FUT8 (0.54) FUT8ENPP2THRBCHATENPP3

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-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
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