SCHEMBL29395877

SCHEMBL29395877

C[Si](C)(C)CCOCn1ncc2cc(C(=O)O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.45
NPC1 O15118 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HCAR3 P49019 6/20 0.40
KMO O15229 1/20 0.39
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
S1PR1 P21453 1/20 0.35
DGAT1 O75907 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
SCHEMBL23165875 1.00 PLA2G4A (0.45) PLA2G4ANPC1MAOAMAOBHCAR3
SCHEMBL12670980 0.90 PLA2G4A (0.45) PLA2G4ANPC1HCAR3KMO
SCHEMBL3644842 0.89 NPC1 (0.54) PLA2G4ANPC1MAOAMAOBKMO
SCHEMBL29627172 0.89 LMNA (0.39) PLA2G4ANPC1KMOHDAC3HDAC1
SCHEMBL23165476 0.89 LMNA (0.39) PLA2G4ANPC1KMOHDAC3HDAC1
SCHEMBL29395869 0.88 MAOA (0.44) PLA2G4ANPC1MAOAMAOBKMO
SCHEMBL24271183 0.88 MAOA (0.44) PLA2G4ANPC1MAOAMAOBKMO
SCHEMBL29627173 0.86 RAB9A (0.41) NPC1MAOAMAOBDGAT1
SCHEMBL28753181 0.86 RAB9A (0.41) NPC1MAOAMAOBDGAT1
SCHEMBL17845097 0.85 NPC1 (0.39) PLA2G4ANPC1MAOAMAOBKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466844-B N- (1H-imidazol-2-yl) benzamide compound and pharmaceutical composition comprising same as active ingredient 康佳诺医疗科技发展有限公司 2025-02-18 CN disclosed
CN-114466844-A N- (1H-imidazol-2-yl) benzamide compounds and pharmaceutical compositions containing the same as active ingredient 康佳诺医疗科技发展有限公司 2022-05-10 CN disclosed
WO-2022042666-A1 SELECTIVE ROCK2 KINASE INHIBITOR 杭州邦顺制药有限公司 2022-03-03 WO disclosed