SCHEMBL363765

SCHEMBL363765

CC(O)(O)c1cc(C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.60
DHODH Q02127 2/20 0.55
MCL1 Q07820 4/20 0.53

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
SCHEMBL3131606 0.81 MCL1 (0.65) SCN9ADHODHMCL1
SCHEMBL10284484 0.78 SCN9A (0.60) SCN9AMCL1
SCHEMBL10284485 0.78 SCN9A (0.60) SCN9ADHODHMCL1
SCHEMBL788021 0.75 SCN9A (1.00) SCN9ADHODHMCL1
SCHEMBL29421490 0.75 SCN9A (1.00) SCN9ADHODHMCL1
SCHEMBL365163 0.75 SCN9A (0.67) SCN9AMCL1
SCHEMBL368401 0.74 SCN9A (0.81) SCN9A
SCHEMBL368520 0.74 SCN9A (0.81) SCN9A
SCHEMBL368402 0.74 SCN9A (0.81) SCN9A
SCHEMBL792966 0.74 SCN9A (0.84) SCN9AMCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593434-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-05-22 EP disclosed
WO-2012007836-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA .LP. (US) 2012-01-19 WO disclosed