SCHEMBL13196477

SCHEMBL13196477

O=C1N(CC2CC2)c2ccc(S(=O)(=O)c3ccccn3)cc2C12OCCO2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.60
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 2/20 0.39
PKM P14618 2/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ANPEP P15144 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NAMPT P43490 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
SCHEMBL2779905 0.97 CNR2 (0.65) CNR2ALDH1A1LMNASCN9ATSHR
SCHEMBL13196520 0.87 CNR2 (0.46) CNR2ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL2780330 0.86 CNR2 (0.64) CNR2ALDH1A1LMNASMN1; SMN2SCN9A
SCHEMBL13196498 0.84 CNR2 (0.70) CNR2ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL2781915 0.80 CNR2 (0.65) CNR2ALDH1A1TSHRL3MBTL1ANPEP
SCHEMBL2781227 0.80 CNR2 (0.67) CNR2ALDH1A1LMNATSHRL3MBTL1
SCHEMBL2780580 0.80 CNR2 (0.65) CNR2ALDH1A1LMNAPKMTSHR
SCHEMBL2821973 0.79 CNR2 (0.64) CNR2PKML3MBTL1ANPEPPOLB
SCHEMBL2781067 0.79 CNR2 (0.69) CNR2ALDH1A1PKML3MBTL1ANPEP
SCHEMBL2780219 0.79 CNR2 (0.69) CNR2ALDH1A1PKMTSHRL3MBTL1

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