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Sugi Predict / Compounds / SCHEMBL14159565

SCHEMBL14159565

SCHEMBL14159565

Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2SOOO)cc2c(O)c(N=Nc3cc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)CCOS(=O)(=O)O)c5)n4)ccc3S(=O)(=O)O)c(SOOO)cc2c1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.35
▸ CHAT P28329 3/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 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

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
SCHEMBL12053499 0.84 FUT8 (0.44) FUT8CHATCARM1PRMT1USP2
SCHEMBL13340562 0.84 THRB (0.43) FUT8CHATENPP3ENPP1CARM1
SCHEMBL12377648 0.82 FUT8 (0.40) FUT8CHATENPP3ENPP1CA12
SCHEMBL14159569 0.81 — —
SCHEMBL14159559 0.81 THRB (0.32) —
SCHEMBL13538878 0.81 FUT8 (0.44) FUT8CHATCARM1PRMT1USP2
SCHEMBL12136688 0.81 FUT8 (0.50) FUT8CHATENPP3ENPP1CA12
SCHEMBL14362766 0.80 FUT8 (0.36) FUT8CARM1PRMT1
SCHEMBL12053285 0.80 FUT8 (0.36) FUT8CARM1PRMT1
SCHEMBL13604260 0.80 CHAT (0.36) FUT8CHATENPP3ENPP1USP2

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
US-7387647-B2 Dye composition and the use thereof EVERLIGHT USA, INC. (US) 2008-06-17 — — US disclosed
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