SCHEMBL881774

SCHEMBL881774

C=CS(=O)(=O)CCCC(=O)Nc1ccc(S(=O)(=O)O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(Nc4nc(F)nc(Nc5cccc(S(=O)(=O)C=C)c5)n4)c3c2O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.52
▸ ENPP2 Q13822 9/20 0.39
▸ PRMT1 Q99873 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DNASE1L3 Q13609 1/20 0.35
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ CHAT P28329 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
SCHEMBL18801530 1.00 FUT8 (0.52) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL24019210 0.96 FUT8 (0.53) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL14134315 0.93 FUT8 (0.42) FUT8ENPP2PRMT1MEN1KMT2A
SCHEMBL18801694 0.89 FUT8 (0.44) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL881759 0.89 FUT8 (0.44) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL15363306 0.89 FUT8 (0.57) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL22861909 0.85 FUT8 (0.58) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL14134395 0.82 FUT8 (0.36) FUT8PRMT1
SCHEMBL45618 0.79 FUT8 (0.56) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL15363308 0.79 FUT8 (0.48) FUT8ENPP2PRMT1CYP1A2CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536791-B1 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-05-03 — — EP disclosed
US-8911509-B2 Mixtures of fibre-reactive dyes and their use in a method for di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2014-12-16 — — US disclosed
US-20120302486-A1 Mixtures of Fibre-Reactive Dyes and Their Use in a Method for Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC (US) 2012-11-29 — — US disclosed
WO-2011101185-A9 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2012-03-29 — — WO disclosed
WO-2011101185-A1 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2011-08-25 — — WO disclosed
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