SCHEMBL14300174

SCHEMBL14300174

O=[N+]([O-])c1ccc(Oc2ccc(/C3=C4\C=CC(=N4)/C=c4/cc/c([nH]4)=C(\c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)C4=N/C(=C\C5C6C=C3N65)C=C4)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.31

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
SCHEMBL12449264 0.84 — —
SCHEMBL1861250 0.76 HSPB1 (0.40) CHEK2
SCHEMBL28665179 0.67 MAPK1 (0.37) —
SCHEMBL8186418 0.64 MAPT (0.38) —
SCHEMBL28554886 0.63 MAPK1 (0.34) —
SCHEMBL26097426 0.61 APP (0.43) —
SCHEMBL1863477 0.61 ALDH1A1 (0.37) —
SCHEMBL28554190 0.61 MAPK1 (0.33) —
SCHEMBL10587139 0.60 MAPK1 (0.47) —
SCHEMBL8355907 0.60 MAPK1 (0.47) —

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
EP-1558616-B1 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2008-02-27 — — EP disclosed
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