SCHEMBL3364327

SCHEMBL3364327

O=C(O)Oc1cc2cc(O)c(O)c([N+](=O)[O-])c2s1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
COMT P21964 12/20 0.47
CDK2 P24941 1/20 0.32

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
SCHEMBL3367675 0.82 COMT (0.46) COMT
SCHEMBL1609375 0.79 GPR35 (0.46) COMTCDK2
SCHEMBL3365763 0.73 COMT (0.65) COMTCDK2
SCHEMBL1608920 0.72 COMT (0.49) COMT
SCHEMBL3364697 0.70 GPR35 (0.45) COMTCDK2
SCHEMBL5232375 0.70 MEN1 (0.44)
SCHEMBL1609359 0.69 PKM (0.44) COMTCDK2
SCHEMBL3365929 0.68 COMT (0.46) COMTCDK2
SCHEMBL3364349 0.65 CASP6 (0.40) COMT
SCHEMBL1608186 0.65 COMT (0.73) COMTCDK2

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-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP claimed