SCHEMBL21239136

SCHEMBL21239136

CCn1c(O)c(/N=N/c2cc(Nc3nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)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 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.33
▸ P2RX3 P56373 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31

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 0.97 FUT8 (0.33) FUT8
SCHEMBL21239129 0.97 FUT8 (0.39) FUT8P2RX3
SCHEMBL22538841 0.94 FUT8 (0.33) FUT8
SCHEMBL21239044 0.91 FUT8 (0.38) FUT8
SCHEMBL13599568 0.90 FUT8 (0.39) FUT8P2RX3
SCHEMBL16626828 0.89 FUT8 (0.40) FUT8
SCHEMBL14415414 0.88 CHAT (0.38) FUT8P2RX3KDM4EMEN1MAPT
SCHEMBL12974339 0.87 FUT8 (0.44) FUT8P2RX3KDM4EMEN1MAPT
SCHEMBL12646576 0.87 FUT8 (0.44) FUT8P2RX3KDM4EMEN1MAPT
SCHEMBL21239322 0.86 FUT8 (0.33) FUT8

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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