SCHEMBL12646576

SCHEMBL12646576

CCn1c(O)c(N=Nc2cc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)O)cc4)n3)ccc2S(=O)(=O)O)c(C)c(CS(=O)(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.44
▸ CHAT P28329 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CA9 Q16790 8/20 0.37
▸ CA12 O43570 7/20 0.37
▸ CA1 P00915 7/20 0.37
▸ CA2 P00918 7/20 0.37
▸ P2RX3 P56373 2/20 0.35
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ CA14 Q9ULX7 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12974339 1.00 FUT8 (0.44) FUT8CHATUSP2APEX1CA9
SCHEMBL13587215 0.94 FUT8 (0.43) FUT8CHATUSP2APEX1CA9
SCHEMBL12646574 0.94 FUT8 (0.43) FUT8CHATUSP2APEX1CA9
SCHEMBL18218146 0.94 FUT8 (0.44) FUT8CHATUSP2APEX1CA9
SCHEMBL9999737 0.94 FUT8 (0.44) FUT8CHATUSP2APEX1CA9
SCHEMBL14415414 0.94 CHAT (0.38) FUT8CHATUSP2APEX1P2RX3
SCHEMBL21239129 0.91 FUT8 (0.39) FUT8CHATUSP2APEX1CA9
SCHEMBL14408255 0.88 FUT8 (0.36) FUT8CHATP2RX3ENPP3ENPP1
SCHEMBL13587216 0.88 CA1 (0.34) FUT8CHATCA9CA12CA1
SCHEMBL14408278 0.88 FUT8 (0.37) FUT8CHATP2RX3MEN1KMT2A

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
US-7967903-B2 Ink composition EVERLIGHT USA, INC. (US) 2011-06-28 — — US disclosed
US-20090211488-A1 Inc composition EVERLIGHT USA, INC. (US) 2009-08-27 — — US disclosed
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