SCHEMBL881768

SCHEMBL881768

Cc1cccc(Nc2nc(F)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)c(O)c34)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.56
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DNASE1L3 Q13609 1/20 0.43
▸ ENPP2 Q13822 9/20 0.43
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ THRB P10828 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ PRMT1 Q99873 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HIF1A Q16665 2/20 0.39

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
SCHEMBL18801615 0.90 FUT8 (0.54) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL45618 0.90 FUT8 (0.56) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL12974350 0.89 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL14163968 0.87 FUT8 (0.67) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13455170 0.85 FUT8 (0.77) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL14163926 0.85 FUT8 (0.62) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL71543 0.84 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL45636 0.84 FUT8 (0.48) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13823164 0.84 FUT8 (0.48) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8974959 0.84 FUT8 (0.69) FUT8CYP1A2CYP2C9MAPK1DNASE1L3

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
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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