SCHEMBL18801617

SCHEMBL18801617

O=C(NCCS(=O)(=O)CCOS(=O)(=O)O)c1cccc(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 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.47
▸ ENPP2 Q13822 5/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ THRB P10828 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HPSE Q9Y251 3/20 0.31

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
SCHEMBL45636 0.95 FUT8 (0.48) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL13823164 0.90 FUT8 (0.48) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL18801615 0.85 FUT8 (0.54) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL881768 0.82 FUT8 (0.56) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL13880675 0.82 FUT8 (0.60) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL45618 0.81 FUT8 (0.56) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL12974350 0.80 FUT8 (0.65) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL29886810 0.80 FUT8 (0.65) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL13138839 0.80 FUT8 (0.65) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL14514300 0.80 FUT8 (0.65) FUT8ENPP2MEN1KMT2ATHRB

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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