SCHEMBL14494873

SCHEMBL14494873

CC(CNc1nc(Cl)nc(Nc2ccc(N=Nc3cc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4cc3S(=O)(=O)O)c3cccc(S(=O)(=O)O)c23)n1)Nc1nc(F)nc(Nc2ccc([SH](=O)=O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CHAT P28329 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ NPR3 P17342 1/20 0.31
▸ HPGDS O60760 1/20 0.30
▸ SNCA P37840 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 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
SCHEMBL14494794 0.93 ENPP2 (0.40) FUT8MEN1THRBKMT2A
SCHEMBL16309276 0.89 MEN1 (0.38) FUT8MEN1THRBKMT2ACHAT
SCHEMBL14494695 0.89 MEN1 (0.38) FUT8MEN1THRBKMT2ACHAT
SCHEMBL18633525 0.88 MEN1 (0.53) FUT8MEN1THRBKMT2ACHAT
SCHEMBL14494793 0.87 MEN1 (0.38) FUT8MEN1THRBKMT2ACHAT
SCHEMBL13656154 0.82 MEN1 (0.39) FUT8MEN1THRBKMT2ACHAT
SCHEMBL18633526 0.82 MEN1 (0.54) FUT8MEN1THRBKMT2ACHAT
SCHEMBL15363322 0.81 FUT8 (0.33) FUT8
SCHEMBL13724001 0.79 MEN1 (0.53) FUT8MEN1THRBKMT2ACHAT
SCHEMBL14217797 0.78 MEN1 (0.52) FUT8MEN1THRBKMT2ACHAT

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
WO-2007062958-A1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2007-06-07 — — WO disclosed
Send feedback