SCHEMBL21239348

SCHEMBL21239348

CCn1c(O)c(/N=N/c2cc(Nc3nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)O)c4)n3)ccc2S(=O)(=O)O)c(C)cc1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ BRD4 O60885 5/20 0.32
▸ CHAT P28329 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ HDAC1 Q13547 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
SCHEMBL21239043 0.88 FUT8 (0.33) FUT8ENPP2BRD4CHATSRC
SCHEMBL22538841 0.85 FUT8 (0.33) FUT8BRD4SRC
SCHEMBL21239136 0.84 FUT8 (0.33) FUT8
SCHEMBL21239044 0.83 FUT8 (0.38) FUT8BRD4CHATCA12CA1
SCHEMBL19335679 0.82 FUT8 (0.47) FUT8ENPP2CHATCA12CA1
SCHEMBL21239129 0.81 FUT8 (0.39) FUT8CHATCA12CA1CA2
SCHEMBL13823304 0.80 FUT8 (0.43) FUT8CHATCA12CA1CA2
SCHEMBL13599568 0.80 FUT8 (0.39) FUT8CHATCA12CA1CA2
SCHEMBL21239322 0.80 FUT8 (0.33) FUT8ENPP2BRD4CHATSRC
SCHEMBL12053415 0.79 FUT8 (0.38) FUT8CHATCA12CA1CA2

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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