SCHEMBL18801525

SCHEMBL18801525

CCN(c1cccc([SH](=O)=O)c1)c1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc6cc(S(C)(=O)=O)ccc6c5S(=O)(=O)O)c(N)c4c3O)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.42
▸ ENPP2 Q13822 9/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ DNASE1L3 Q13609 1/20 0.30
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 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
SCHEMBL15036163 0.86 FUT8 (0.55) FUT8ENPP2CARM1PRMT1MEN1
SCHEMBL14149031 0.82 FUT8 (0.46) FUT8ENPP2CARM1PRMT1MEN1
SCHEMBL16389050 0.80 FUT8 (0.44) FUT8ENPP2CARM1PRMT1MEN1
SCHEMBL13632939 0.77 ENPP2 (0.54) FUT8ENPP2CARM1PRMT1MEN1
SCHEMBL20008109 0.77 FUT8 (0.52) FUT8ENPP2CARM1PRMT1MEN1
SCHEMBL881777 0.77 FUT8 (0.52) FUT8ENPP2CARM1PRMT1MEN1
SCHEMBL15363314 0.76 FUT8 (0.40) FUT8ENPP2PRMT1MEN1HTT
SCHEMBL16552012 0.75 ENPP2 (0.52) FUT8ENPP2CARM1PRMT1MEN1
SCHEMBL14045367 0.75 FUT8 (0.48) FUT8ENPP2CARM1PRMT1MEN1
SCHEMBL18941922 0.75 FUT8 (0.47) FUT8ENPP2CARM1PRMT1MEN1

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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