SCHEMBL28353221

SCHEMBL28353221

Cn1c(=O)n(CC2(O)COC2)c2cc(Oc3ccc(C(F)(F)F)cn3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.50
SCN10A Q9Y5Y9 2/20 0.47
LIPE Q05469 2/20 0.43
SCN7A Q01118 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL28352782 0.84 SCN9A (0.38) SCN9ASCN10A
SCHEMBL28352781 0.82 SCN9A (0.50) SCN9ASCN10ALIPE
SCHEMBL24117147 0.81 SCN9A (0.48) SCN9ASCN10ASCN7AKCNH2MAPK1
SCHEMBL28356812 0.80 TRPC5 (0.39) LIPEKCNH2
SCHEMBL28356584 0.79 TRIM24 (0.38)
SCHEMBL18730390 0.78 SCN9A (0.55) SCN9ASCN10ASCN7AKCNH2
SCHEMBL29463824 0.78 SCN9A (0.55) SCN9ASCN10ASCN7AKCNH2
SCHEMBL28352567 0.77 MEN1 (0.41)
SCHEMBL24117152 0.76 PARG (0.41) LIPEKCNH2
SCHEMBL28356469 0.71 MAPK1 (0.47) SCN9ASCN10AMAPK1

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
CN-110612290-A Novel benzimidazolone compounds and medicinal use thereof 大日本住友制药株式会社 2019-12-24 CN claimed
CN-110612290-A Novel benzimidazolone compounds and medicinal use thereof 大日本住友制药株式会社 2019-12-24 CN disclosed