SCHEMBL12754235

SCHEMBL12754235

CCON(CCO)c1nc(Nc2ccc(/N=N/c3cc(C(=O)O)cc(C(=O)O)c3)cc2)nc(Nc2ccc(/N=N/c3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.36
▸ SUMO2 P61956 1/20 0.36
▸ SUMO1 P63165 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ RHOA P61586 1/20 0.31
▸ CFTR P13569 2/20 0.30
▸ FUT8 Q9BYC5 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
SCHEMBL13963995 0.94 ATIC (0.33) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12754638 0.93 ENPP2 (0.34) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12754566 0.92 CA1 (0.34) CA12CA1CA2CA9CFTR
SCHEMBL13963831 0.89 ATIC (0.38) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12721285 0.89 ATIC (0.37) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12721300 0.83 ENPP2 (0.37) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12721327 0.83 RECQL (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13963998 0.83 CA12 (0.37) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12721317 0.81 FUT8 (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13963792 0.80 CA1 (0.46) CA12CA1CA2CA9FUT8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927411-B2 Compound, ink, process and use FUJIFILM IMAGING COLORANTS LIMITED (GB) 2011-04-19 — — US disclosed
US-20100196675-A1 Compound, Ink, Process and Use FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-08-05 — — US disclosed
WO-2009013459-A1 COMPOUND, INK, PROCESS AND USE FUJIFILIM IMAGING COLORANTS LIMITED (GB) 2009-01-29 — — WO disclosed
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