SCHEMBL30306265

SCHEMBL30306265

CCCCCC(=O)n1c(C(C)(C)C)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.55
ASAH1 Q13510 1/20 0.47
HTR7 P34969 4/20 0.45
OXER1 Q8TDS5 6/20 0.44
CNR1 P21554 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL30306293 0.82 MEN1 (0.66) CNR2ASAH1MEN1NPC1LMNA
SCHEMBL30306272 0.82 CNR2 (0.52) CNR2MEN1NPC1LMNARAB9A
SCHEMBL10663272 0.81 ASAH1 (0.65) ASAH1HTR7MEN1NPC1LMNA
SCHEMBL29065543 0.80 CNR2 (0.62) CNR2MEN1NPC1LMNARAB9A
SCHEMBL30306267 0.79 NPC1 (0.55) CNR2ASAH1MEN1NPC1LMNA
SCHEMBL27806544 0.78 KMT2A (0.56) CNR2ASAH1HTR7OXER1CNR1
SCHEMBL30306259 0.78 RAB9A (0.54) CNR2MEN1NPC1LMNARAB9A
SCHEMBL30306303 0.78 CNR2 (0.48) CNR2CNR1MEN1NPC1LMNA
SCHEMBL30306278 0.77 CNR2 (0.62) CNR2MEN1NPC1RAB9AKMT2A
SCHEMBL7794693 0.74 PTGDR2 (0.47) CNR2ASAH1HTR7OXER1CNR1

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