SCHEMBL18801684

SCHEMBL18801684

C=CS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4cc(Nc5nc(F)nc(N(C)c6cccc(S(=O)(=O)C=C)c6)n5)ccc4S(=O)(=O)O)c(O)c3c2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.40
▸ ENPP2 Q13822 9/20 0.40
▸ THRB P10828 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ PRMT1 Q99873 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DNASE1L3 Q13609 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
SCHEMBL14149030 0.92 FUT8 (0.39) FUT8ENPP2THRBPHLPP2PRMT1
SCHEMBL18801973 0.88 FUT8 (0.48) FUT8ENPP2PHLPP2PRMT1CYP1A2
SCHEMBL15363314 0.87 FUT8 (0.40) FUT8ENPP2THRBPHLPP2PRMT1
SCHEMBL18801754 0.82 THRB (0.47) FUT8ENPP2THRBPHLPP2PRMT1
SCHEMBL24019220 0.81 — —
SCHEMBL14149031 0.80 FUT8 (0.46) FUT8ENPP2THRBPHLPP2PRMT1
SCHEMBL14013130 0.79 FUT8 (0.42) FUT8ENPP2THRBPHLPP2PRMT1
SCHEMBL18801985 0.78 FUT8 (0.45) FUT8ENPP2THRBPHLPP2PRMT1
SCHEMBL20008529 0.77 FUT8 (0.46) FUT8ENPP2PHLPP2PRMT1CYP1A2
SCHEMBL25592677 0.77 FUT8 (0.49) FUT8ENPP2THRBPHLPP2PRMT1

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 1 patent. 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
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