SCHEMBL14514299

SCHEMBL14514299

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(Cl)nc(Nc5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.54
▸ THRB P10828 1/20 0.47
▸ ENPP2 Q13822 5/20 0.37
▸ PRMT1 Q99873 2/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ CHAT P28329 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CA9 Q16790 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ENPP3 O14638 1/20 0.32

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
SCHEMBL14346805 0.95 FUT8 (0.49) FUT8THRBENPP2PRMT1CARM1
SCHEMBL16624647 0.94 FUT8 (0.54) FUT8THRBENPP2PRMT1CARM1
SCHEMBL14388939 0.92 THRB (0.55) FUT8THRBENPP2PRMT1CARM1
SCHEMBL16624649 0.90 FUT8 (0.52) FUT8THRBENPP2PRMT1CARM1
SCHEMBL16626832 0.90 FUT8 (0.55) FUT8THRBENPP2PRMT1CARM1
SCHEMBL14983600 0.90 FUT8 (0.46) FUT8THRBENPP2PRMT1CARM1
SCHEMBL16664577 0.89 FUT8 (0.51) FUT8THRBENPP2PRMT1CARM1
SCHEMBL14388914 0.89 FUT8 (0.50) FUT8THRBENPP2PRMT1CARM1
SCHEMBL14388943 0.89 FUT8 (0.50) FUT8THRBENPP2PRMT1CARM1
SCHEMBL13069419 0.89 FUT8 (0.53) FUT8THRBENPP2PRMT1CARM1

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-20070124875-A1 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC 2007-06-07 — — US disclosed
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
Send feedback