SCHEMBL19213909

SCHEMBL19213909

Cc1cc(S(=O)(=O)O)c2cc(/N=N/c3ccc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)CCOS(=O)(=O)O)c5)n4)cc3NC(N)=O)c(C)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 3/20 0.37
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ CA12 O43570 7/20 0.36
▸ CA1 P00915 7/20 0.36
▸ CA2 P00918 7/20 0.36
▸ CA9 Q16790 7/20 0.36
▸ FUT8 Q9BYC5 1/20 0.35
▸ P2RY2 P41231 1/20 0.33
▸ P2RY4 P51582 1/20 0.33
▸ P2RY6 Q15077 1/20 0.33
▸ P2RY13 Q9BPV8 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ ENPP2 Q13822 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL13880709 0.89 FUT8 (0.42) CHATENPP3ENPP1CA12CA1
SCHEMBL13599477 0.85 CHAT (0.36) CHATENPP3ENPP1CA12CA1
SCHEMBL13340695 0.85 CHAT (0.36) CHATENPP3ENPP1CA12CA1
SCHEMBL45600 0.82 FUT8 (0.44) CHATENPP3ENPP1CA12CA1
SCHEMBL14079919 0.82 CA12 (0.44) CHATENPP3ENPP1CA12CA1
SCHEMBL15985984 0.80 FUT8 (0.43) CHATENPP3ENPP1CA12CA1
SCHEMBL16626824 0.80 FUT8 (0.46) CHATENPP3ENPP1CA12CA1
SCHEMBL28606272 0.80 P2RY2 (0.40) CHATENPP3ENPP1CA12CA1
SCHEMBL12053417 0.80 CHAT (0.35) CHATENPP3ENPP1CA12CA1
SCHEMBL15985961 0.79 ENPP2 (0.48) CHATENPP3ENPP1CA12CA1

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-20170226361-A1 AQUEOUS INKJET INK COMPOSITION JETBEST CORPORATION (TW) 2017-08-10 — — US disclosed
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