SCHEMBL3364697

SCHEMBL3364697

O=C(O)Oc1cc2cc(O)c(O)c([N+](=O)[O-])c2o1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.45
COMT P21964 4/20 0.37
MCL1 Q07820 2/20 0.35
CDK2 P24941 1/20 0.32
TPMT P51580 1/20 0.31
PKM P14618 1/20 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
SCHEMBL1609267 0.78 GPR35 (0.51) GPR35COMTMCL1CDK2
SCHEMBL6490859 0.75 GPR35 (0.76) GPR35COMT
SCHEMBL5237896 0.73 MAOA (0.56) GPR35
SCHEMBL3364327 0.70 COMT (0.47) COMTCDK2
SCHEMBL5235606 0.70 MAPT (0.55) MCL1PKM
SCHEMBL6479672 0.69 ADORA3 (0.59) GPR35PKM
SCHEMBL5237128 0.68 MAPT (0.37)
SCHEMBL5233431 0.66 CA12 (0.44)
SCHEMBL5203098 0.66 MAOA (0.45)
SCHEMBL5233703 0.66 MAOB (0.58)

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