SCHEMBL3363596

SCHEMBL3363596

CCN(CC)C(=O)Oc1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
COMT P21964 15/20 0.60
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FTO Q9C0B1 2/20 0.35
TSHR P16473 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK2 P24941 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
SCHEMBL3365763 0.85 COMT (0.65) COMTCDK2
SCHEMBL3364756 0.83 COMT (0.61) COMTKMT2ACDK2
SCHEMBL1609327 0.83 COMT (0.69) COMTSMN1; SMN2FTOKMT2A
SCHEMBL1608934 0.76 COMT (0.83) COMTMEN1KMT2A
SCHEMBL3365925 0.76 COMT (0.59) COMTSMN1; SMN2MEN1KMT2A
SCHEMBL3362922 0.74 COMT (0.55) COMTLMNASMN1; SMN2TSHRMEN1
SCHEMBL1608186 0.74 COMT (0.73) COMTCDK2
SCHEMBL1608305 0.67 COMT (0.46) COMTLMNASMN1; SMN2KMT2A
SCHEMBL1608782 0.67 COMT (0.68) COMTMEN1KMT2A
SCHEMBL30592877 0.67 COMT (0.68) COMTMEN1KMT2A

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