SCHEMBL12721300

SCHEMBL12721300

COc1cc(/N=N/c2cc(C(=O)O)cc(C(=O)O)c2)ccc1Nc1nc(Nc2ccc(/N=N/c3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)cc2)nc(N(CCO)CCO)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.37
▸ RAD52 P43351 2/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ ATIC P31939 1/20 0.33
▸ SUMO2 P61956 1/20 0.33
▸ SUMO1 P63165 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP2 Q9HC62 1/20 0.33
▸ LY6K Q17RY6 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ GLA P06280 2/20 0.30
▸ SLC22A1 O15245 1/20 0.30
▸ ABCC4 O15439 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CHRM1 P11229 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
SCHEMBL12721364 0.96 ENPP2 (0.37) ENPP2RAD52NCOA3ATICSUMO2
SCHEMBL13963998 0.94 CA12 (0.37) ENPP2RAD52NCOA3ATICSUMO2
SCHEMBL12754638 0.92 ENPP2 (0.34) ENPP2RAD52NCOA3ATICSUMO2
SCHEMBL12721285 0.91 ATIC (0.37) ENPP2ATICSUMO2SUMO1SENP7
SCHEMBL13151877 0.85 ENPP2 (0.40) ENPP2RAD52NCOA3ATICSUMO2
SCHEMBL12754235 0.83 ATIC (0.36) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13963831 0.80 ATIC (0.38) ENPP2ATICSUMO2SUMO1SENP7
SCHEMBL12721291 0.80 PTPN11 (0.35) —
SCHEMBL12721327 0.79 RECQL (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13963792 0.78 CA1 (0.46) ENPP2RAB9APRMT1SMN1; SMN2

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-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
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