SCHEMBL30306293

SCHEMBL30306293

CC(C)(C)c1nc2ccccc2n1C(=O)CCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
NPC1 O15118 2/20 0.66
LMNA P02545 1/20 0.66
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CNR2 P34972 2/20 0.52
ASAH1 Q13510 4/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDE4B Q07343 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30306267 0.91 NPC1 (0.55) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL30306259 0.90 RAB9A (0.54) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL29065543 0.83 CNR2 (0.62) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL30306272 0.82 CNR2 (0.52) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL30306265 0.82 CNR2 (0.55) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL21778282 0.78 CNR2 (0.54) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL30306303 0.78 CNR2 (0.48) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL30306278 0.77 CNR2 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29145180 0.73 CNR2 (0.64) KMT2ACNR2ASAH1KDM4EALDH1A1
SCHEMBL29145183 0.72 CNR2 (0.47) MEN1KMT2ANPC1LMNARAB9A

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