SCHEMBL2821973

SCHEMBL2821973

O=C1N(CC2CC2)c2ccc(S(=O)(=O)c3c(Cl)cncc3Cl)cc2C12OCCCO2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.64
ANPEP P15144 7/20 0.42
POLB P06746 2/20 0.40
PKM P14618 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2781046 0.87 CNR2 (0.68) CNR2ANPEPPOLBPKMHDAC1
SCHEMBL2781067 0.85 CNR2 (0.69) CNR2ANPEPPOLBPKMHDAC1
SCHEMBL2780580 0.84 CNR2 (0.65) CNR2ANPEPPOLBPKMKDM4E
SCHEMBL2781358 0.83 CNR2 (0.64) CNR2ANPEPPOLBPKMHDAC1
SCHEMBL2781721 0.83 CNR2 (0.64) CNR2ANPEPPOLBPKMHDAC1
SCHEMBL13274022 0.83 CNR2 (0.74) CNR2ANPEPPOLBPKMHDAC1
SCHEMBL13196498 0.82 CNR2 (0.70) CNR2ANPEPPOLBL3MBTL1
SCHEMBL2779905 0.82 CNR2 (0.65) CNR2ANPEPPOLBKDM4EL3MBTL1
SCHEMBL13196470 0.82 CNR2 (0.61) CNR2ANPEPPOLBPKMHDAC1
SCHEMBL2780219 0.82 CNR2 (0.69) CNR2ANPEPPOLBPKMHDAC1

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
WO-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO disclosed