SCHEMBL45618

SCHEMBL45618

C=CS(=O)(=O)c1cccc(Nc2nc(F)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)c(O)c34)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.56
▸ CYP1A2 P05177 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ ENPP2 Q13822 5/20 0.39
▸ PRMT1 Q99873 2/20 0.39
▸ PHLPP2 Q6ZVD8 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34

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
SCHEMBL25592672 0.94 FUT8 (0.65) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL15362408 0.92 FUT8 (0.46) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL881768 0.90 FUT8 (0.56) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL18801615 0.88 FUT8 (0.54) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12974350 0.88 FUT8 (0.65) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13823164 0.86 FUT8 (0.48) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL20685452 0.86 FUT8 (0.67) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL22861909 0.85 FUT8 (0.58) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13455170 0.85 FUT8 (0.77) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14163968 0.85 FUT8 (0.67) FUT8CYP1A2MAPK1CYP2C9DNASE1L3

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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