SCHEMBL30306271

SCHEMBL30306271

Cc1ccc2c(c1)nc(C(C)(C)C)n2C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.57
ACSS2 Q9NR19 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30306286 0.90 CNR2 (0.57) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306305 0.86 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306276 0.84 CNR2 (0.74) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306274 0.83 CNR2 (0.62) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306260 0.78 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28654998 0.78 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306263 0.78 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306291 0.78 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306310 0.78 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306282 0.77 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2KDM4E

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