SCHEMBL30306286

SCHEMBL30306286

Cc1ccc2nc(C(C)(C)C)n(C(=O)c3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.57
ACSS2 Q9NR19 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 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
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
LMNA P02545 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
SCHEMBL30306271 0.90 CNR2 (0.57) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306263 0.86 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL28654998 0.86 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306310 0.86 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306275 0.86 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306260 0.86 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306291 0.86 CNR2 (0.56) CNR2ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL30306276 0.84 CNR2 (0.74) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30306294 0.84 CNR2 (0.74) CNR2ACSS2SMN1; SMN2KDM4EMAPT
SCHEMBL30306274 0.83 CNR2 (0.62) 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