SCHEMBL30306274

SCHEMBL30306274

Cc1cccc(C(=O)n2c(C(C)(C)C)nc3ccccc32)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.62
MGAM O43451 1/20 0.54
AMY1A P0DUB6 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ELANE P08246 3/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL30306261 0.86 CNR2 (0.61) CNR2MGAMAMY1AGAASI
SCHEMBL30306276 0.85 CNR2 (0.74) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306286 0.83 CNR2 (0.57) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306271 0.83 CNR2 (0.57) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306269 0.80 CNR2 (0.74) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306282 0.79 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306287 0.79 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306258 0.79 CNR2 (0.73) CNR2MGAMAMY1AGAASI
SCHEMBL30306270 0.79 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306277 0.79 CNR2 (0.73) CNR2MGAMAMY1AGAASI

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
CN-113717107-B Synthesis method of N-acyl benzimidazole compound 河南师范大学 2023-03-24 CN disclosed