SCHEMBL30306261

SCHEMBL30306261

CC(C)(C)c1nc2ccccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.61
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ELANE P08246 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL30306274 0.86 CNR2 (0.62) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306287 0.86 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28649730 0.86 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306310 0.84 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306305 0.84 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306276 0.79 CNR2 (0.74) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306269 0.79 CNR2 (0.74) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306258 0.78 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306282 0.78 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306270 0.78 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1

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