SCHEMBL30306263

SCHEMBL30306263

CC(C)(C)c1nc2ccc(F)cc2n1C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.56
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
NOD1 Q9Y239 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL28654998 1.00 CNR2 (0.56) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL30306286 0.86 CNR2 (0.57) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL28916789 0.85 CNR2 (0.41) CNR2KDM4EACSS2BRD4
SCHEMBL30306291 0.85 CNR2 (0.56) CNR2NPC1RAB9AKDM4EMEN1
SCHEMBL30306310 0.85 CNR2 (0.56) CNR2NPC1RAB9AKDM4ENOD1
SCHEMBL30306260 0.85 CNR2 (0.56) CNR2NPC1RAB9AMEN1KMT2A
SCHEMBL30306275 0.85 CNR2 (0.56) CNR2NPC1RAB9AKDM4EMEN1
SCHEMBL30306258 0.84 CNR2 (0.73) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL28673084 0.84 CNR2 (0.73) CNR2NPC1RAB9AKDM4ELMNA
SCHEMBL30306294 0.82 CNR2 (0.74) CNR2KDM4ELMNASMN1; SMN2CYP2C9

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