SCHEMBL21239129

SCHEMBL21239129

CCn1c(O)c(/N=N/c2cc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)ccc2S(=O)(=O)O)c(C)c(CS(=O)(=O)O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.39
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ CHAT P28329 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.31
▸ P2RX3 P56373 1/20 0.30
▸ SRC P12931 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
SCHEMBL21239136 0.97 FUT8 (0.33) FUT8P2RX3
SCHEMBL21239044 0.95 FUT8 (0.38) FUT8CA12CA1CA2CA9
SCHEMBL21239043 0.93 FUT8 (0.33) FUT8CHATSRC
SCHEMBL13599568 0.93 FUT8 (0.39) FUT8CA12CA1CA2CA9
SCHEMBL16626828 0.93 FUT8 (0.40) FUT8CARM1PRMT1CHAT
SCHEMBL22538841 0.91 FUT8 (0.33) FUT8SRC
SCHEMBL12974339 0.91 FUT8 (0.44) FUT8CA12CA1CA2CA9
SCHEMBL12646576 0.91 FUT8 (0.44) FUT8CA12CA1CA2CA9
SCHEMBL12053415 0.89 FUT8 (0.38) FUT8CA12CA1CA2CA9
SCHEMBL9999737 0.88 FUT8 (0.44) FUT8CA12CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3521379-B1 FIBRE-REACTIVE AZO DYES AND MIXTURES OF DYESTUFFS, METHOD FOR THEIR PREPARATION AND THEIR USE FOR DYEING OR PRINTING CHT SWITZERLAND AG (CH) 2020-10-14 — — EP disclosed
EP-3521379-A1 FIBRE-REACTIVE AZO DYES AND MIXTURES OF DYESTUFFS, METHOD FOR THEIR PREPARATION AND THEIR USE FOR DYEING OR PRINTING CHT Switzerland AG (CH) 2019-08-07 — — EP disclosed
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