SCHEMBL28353166

SCHEMBL28353166

CC(n1c(=O)[nH]c2ccc(Oc3ccc(C(F)(F)F)cn3)cc21)C(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 5/20 0.52
BRD4 O60885 1/20 0.44
LMNA P02545 1/20 0.43
SCN9A Q15858 9/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.42
MAOB P27338 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
SCHEMBL28353164 1.00 B3GNT2 (0.52) B3GNT2BRD4LMNASCN9ATHRB
SCHEMBL24116804 0.82 MAOB (0.51) BRD4LMNASCN9ATHRBMAPK1
SCHEMBL28352930 0.78 PGR (0.51) B3GNT2MAOB
SCHEMBL28352929 0.78 PGR (0.51) B3GNT2MAOB
SCHEMBL29463872 0.76 SCN9A (0.47) LMNASCN9ATHRBMAPK1
SCHEMBL29463813 0.76 SCN9A (0.47) LMNASCN9ATHRBMAPK1
SCHEMBL18638558 0.76 SCN9A (0.47) LMNASCN9ATHRBMAPK1
SCHEMBL18730516 0.76 SCN9A (0.47) LMNASCN9ATHRBMAPK1
SCHEMBL22227596 0.76 SCN9A (0.47) LMNASCN9ATHRBMAPK1
SCHEMBL28356466 0.76 SCN9A (0.48) LMNASCN9ATHRBMAPK1

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