SCHEMBL27404091

SCHEMBL27404091

NC(=O)Nc1ccc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(Nc2nc(Cl)nc(Nc3cc(Nc4nc(Cl)nc(Nc5cc(NC(N)=O)ccc5/N=N/c5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5S(=O)(=O)O)n4)cc(C(=O)O)c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 1/20 0.39
▸ P2RY4 P51582 1/20 0.39
▸ P2RY6 Q15077 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ FUT8 Q9BYC5 1/20 0.38
▸ CHAT P28329 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ CA9 Q16790 13/20 0.33
▸ CA12 O43570 12/20 0.33
▸ CA1 P00915 12/20 0.33
▸ CA2 P00918 12/20 0.33
▸ CA14 Q9ULX7 6/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CA5A P35218 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ HPGDS O60760 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
SCHEMBL27404369 0.89 FUT8 (0.39) FUT8CHATUSP2APEX1CA9
SCHEMBL27404324 0.86 FUT8 (0.42) P2RY2P2RY4P2RY6P2RY12FUT8
SCHEMBL16624668 0.85 FUT8 (0.45) P2RY4FUT8CHATUSP2APEX1
SCHEMBL6747988 0.80 CA12 (0.36) FUT8CHATCA9CA12CA1
SCHEMBL45600 0.79 FUT8 (0.44) FUT8CHATUSP2APEX1CA9
SCHEMBL13341085 0.79 FUT8 (0.37) FUT8CHATUSP2APEX1CA9
SCHEMBL15985984 0.78 FUT8 (0.43) P2RY2P2RY4P2RY6P2RY12FUT8
SCHEMBL16626841 0.78 FUT8 (0.33) FUT8CHATUSP2APEX1CA9
SCHEMBL13880709 0.78 FUT8 (0.42) P2RY2P2RY4P2RY6P2RY12FUT8
SCHEMBL15363309 0.77 FUT8 (0.40) FUT8CHATUSP2APEX1ENPP3

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-2024133576-A1 FIBRE-REACTIVE ISOMERIC YELLOW DYE MIXTURES, THEIR PREPARATION AND THEIR USE ARCHROMA (SWITZERLAND) GMBH (CH) 2024-06-27 — — WO disclosed
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