SCHEMBL12330128

SCHEMBL12330128

CC(Nc1nc(Nc2ccc(N=Nc3cc(C(=O)O)cc(C(=O)O)c3)cc2)nc(Nc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)cc2)n1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.40
▸ SUMO2 P61956 2/20 0.40
▸ SUMO1 P63165 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP2 Q9HC62 2/20 0.40
▸ RHOA P61586 1/20 0.35
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ PRMT3 O60678 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ SENP1 Q9P0U3 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL12721317 0.87 FUT8 (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL11893167 0.85 CHAT (0.41) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12848076 0.85 ATIC (0.46) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12721327 0.84 RECQL (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12721285 0.82 ATIC (0.37) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13963831 0.81 ATIC (0.38) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12559095 0.80 ATIC (0.47) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12754235 0.79 ATIC (0.36) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL11893166 0.79 CA1 (0.44) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL14280923 0.79 FUT8 (0.47) ATICSUMO2SUMO1SENP7SENP2

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-20110216117-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION, AND COLORED MATTER NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-09-08 — — US disclosed
US-20110052885-A1 WATER SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-03-03 — — US disclosed
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