SCHEMBL11893245

SCHEMBL11893245

CCC(Nc1nc(Nc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)cc2)nc(Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 4/20 0.39
▸ USP2 O75604 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ ATIC P31939 3/20 0.37
▸ SUMO2 P61956 1/20 0.37
▸ SUMO1 P63165 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP2 Q9HC62 1/20 0.37
▸ FUT8 Q9BYC5 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ ENPP3 O14638 1/20 0.34

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
SCHEMBL11893250 0.94 CHAT (0.38) CHATUSP2APEX1CA12CA1
SCHEMBL11893166 0.90 CA1 (0.44) CHATUSP2APEX1CA12CA1
SCHEMBL11893241 0.89 CHAT (0.40) CHATUSP2APEX1CA1CA2
SCHEMBL11893246 0.88 CHAT (0.45) CHATUSP2APEX1ATICSUMO2
SCHEMBL11893167 0.87 CHAT (0.41) CHATUSP2APEX1CA1CA2
SCHEMBL11893252 0.86 CHAT (0.41) CHATUSP2APEX1CA1CA2
SCHEMBL11893239 0.85 ATIC (0.42) CHATUSP2APEX1CA12CA1
SCHEMBL11893251 0.85 CA12 (0.46) CHATUSP2APEX1CA12CA1
SCHEMBL11893164 0.85 CHAT (0.40) CHATUSP2APEX1CA12CA1
SCHEMBL11893247 0.84 CHAT (0.49) CHATUSP2APEX1ATICSUMO2

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-8226222-B2 Ink set, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-07-24 — — US disclosed
US-20110032302-A1 INK SET, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 — — US disclosed
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