SCHEMBL16626832

SCHEMBL16626832

Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Nc4cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c4O)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(S(=O)(=O)O)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.55
▸ THRB P10828 1/20 0.44
▸ CHAT P28329 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ PRMT1 Q99873 2/20 0.37
▸ ENPP2 Q13822 6/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33

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 0.96 FUT8 (0.52) FUT8THRBCHATUSP2APEX1
SCHEMBL16624647 0.96 FUT8 (0.54) FUT8THRBCHATUSP2APEX1
SCHEMBL14514299 0.90 FUT8 (0.54) FUT8THRBCHATUSP2APEX1
SCHEMBL14388939 0.89 THRB (0.55) FUT8THRBCHATUSP2APEX1
SCHEMBL16664577 0.87 FUT8 (0.51) FUT8THRBCHATUSP2APEX1
SCHEMBL13069419 0.87 FUT8 (0.53) FUT8THRBCHATUSP2APEX1
SCHEMBL14346805 0.85 FUT8 (0.49) FUT8THRBCHATUSP2APEX1
SCHEMBL22768258 0.85 FUT8 (0.64) FUT8THRBCHATUSP2APEX1
SCHEMBL14080045 0.85 FUT8 (0.61) FUT8THRBCHATUSP2APEX1
SCHEMBL4162603 0.85 FUT8 (0.61) FUT8THRBCHATUSP2APEX1

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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