SCHEMBL45600

SCHEMBL45600

NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)n2)ccc1/N=N/c1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.44
▸ CHAT P28329 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ CA12 O43570 10/20 0.35
▸ CA1 P00915 10/20 0.35
▸ CA2 P00918 10/20 0.35
▸ CA9 Q16790 10/20 0.35
▸ CA14 Q9ULX7 3/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ CA5A P35218 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
SCHEMBL13880709 0.94 FUT8 (0.42) FUT8CHATUSP2APEX1MEN1
SCHEMBL16626824 0.93 FUT8 (0.46) FUT8CHATUSP2APEX1MEN1
SCHEMBL15363309 0.91 FUT8 (0.40) FUT8CHATUSP2APEX1MEN1
SCHEMBL13604230 0.90 FUT8 (0.36) FUT8CHATUSP2APEX1CARM1
SCHEMBL13599483 0.90 FUT8 (0.36) FUT8CHATUSP2APEX1CARM1
SCHEMBL13793456 0.90 FUT8 (0.36) FUT8CHATUSP2APEX1CARM1
SCHEMBL9270771 0.88 FUT8 (0.48) FUT8CHATUSP2APEX1MEN1
SCHEMBL9740928 0.88 FUT8 (0.48) FUT8CHATUSP2APEX1MEN1
SCHEMBL13880751 0.87 FUT8 (0.47) FUT8CHATUSP2APEX1MEN1
SCHEMBL16626840 0.86 FUT8 (0.39) FUT8MEN1THRBKMT2ACD40

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-20130283546-A1 Mixtures of Fibre-Reactive Dyes and Their Use in a Method for Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC (US) 2013-10-31 — — US disclosed
WO-2012025279-A1 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2012-03-01 — — WO disclosed
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