SCHEMBL13196558

SCHEMBL13196558

O=C1N(c2cccnc2)c2ccc(S(=O)(=O)c3ccccc3)cc2C12OCCCO2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.39
CNR2 P34972 1/20 0.39
CYP2C9 P11712 1/20 0.37
ELANE P08246 1/20 0.37
HTR6 P50406 1/20 0.37
POLB P06746 1/20 0.36
AVPR1B P47901 1/20 0.36
HTT P42858 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL2780892 0.90 CNR2 (0.44) CNR2HTR6POLBHTT
SCHEMBL13196447 0.90 CNR2 (0.37) NAMPTCNR2ELANEPOLBAVPR1B
SCHEMBL13196442 0.89 ALDH1A1 (0.41) NAMPTCNR2CYP2C9POLB
SCHEMBL2784556 0.85 PKM (0.41) CNR2CYP2C9HTR6POLB
SCHEMBL2783111 0.83 POLB (0.48) CNR2POLBHTT
SCHEMBL13196575 0.82 CNR2 (0.40) CNR2CYP2C9POLBHTTEGLN1
SCHEMBL13196604 0.82 CNR2 (0.40) NAMPTCNR2CYP2C9POLBEGLN1
SCHEMBL2780191 0.82 ALDH1A1 (0.39) NAMPTCNR2HTR6POLBAVPR1B
SCHEMBL2780358 0.81 CNR2 (0.39) CNR2POLB
SCHEMBL2782395 0.81 HTT (0.39) NAMPTCNR2POLBHTT

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