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Sugi Predict / Compounds / SCHEMBL21239322

SCHEMBL21239322

SCHEMBL21239322

Cc1c(/N=N/c2cc(Nc3nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)O)c4)nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)O)c4)n3)ccc2S(=O)(=O)O)c(O)n(C)c(=O)c1CS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.33
▸ BRD4 O60885 5/20 0.33
▸ SRC P12931 1/20 0.32
▸ RIPK2 O43353 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30
▸ ENPP2 Q13822 1/20 0.30
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ CHAT P28329 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
SCHEMBL22538841 0.92 FUT8 (0.33) FUT8BRD4SRC
SCHEMBL21239043 0.90 FUT8 (0.33) FUT8BRD4SRCENPP2CHAT
SCHEMBL21239044 0.89 FUT8 (0.38) FUT8BRD4ENPP3ENPP1CHAT
SCHEMBL21239136 0.86 FUT8 (0.33) FUT8
SCHEMBL21239129 0.83 FUT8 (0.39) FUT8SRCCHAT
SCHEMBL16626828 0.80 FUT8 (0.40) FUT8ENPP3ENPP1CHAT
SCHEMBL14408255 0.80 FUT8 (0.36) FUT8BRD4ENPP2ENPP3ENPP1
SCHEMBL21239348 0.80 FUT8 (0.34) FUT8BRD4SRCENPP2CHAT
SCHEMBL13587215 0.79 FUT8 (0.43) FUT8BRD4ENPP2ENPP3ENPP1
SCHEMBL12646574 0.79 FUT8 (0.43) FUT8BRD4ENPP2ENPP3ENPP1

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
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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