SCHEMBL30306282

SCHEMBL30306282

CC(C)(C)c1nc2ccccc2n1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.73
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
NOD1 Q9Y239 1/20 0.48
HTR2B P41595 1/20 0.47
CTSD P07339 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
SCHEMBL30306269 0.88 CNR2 (0.74) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306276 0.88 CNR2 (0.74) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306291 0.87 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306258 0.86 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28649730 0.86 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306287 0.86 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306277 0.86 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306270 0.86 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28673084 0.86 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306268 0.84 CNR2 (1.00) CNR2SMN1; SMN2KMT2AKDM4ELMNA

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