SCHEMBL30306258

SCHEMBL30306258

CC(C)(C)c1nc2ccccc2n1C(=O)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.73
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 1/20 0.65
POLB P06746 1/20 0.65
NOD1 Q9Y239 1/20 0.65
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
MGAM O43451 1/20 0.50
AMY1A P0DUB6 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL28673084 1.00 CNR2 (0.73) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL30306269 0.88 CNR2 (0.74) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL30306276 0.88 CNR2 (0.74) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL30306273 0.87 CNR2 (0.70) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL30306277 0.86 CNR2 (0.73) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL30306287 0.86 CNR2 (0.73) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL30306282 0.86 CNR2 (0.73) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL30306270 0.86 CNR2 (0.73) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL28649730 0.86 CNR2 (0.73) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL28654998 0.84 CNR2 (0.56) CNR2NPC1RAB9AKDM4ELMNA

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