SCHEMBL30306291

SCHEMBL30306291

CC(C)(C)c1nc2ccc(-c3ccccc3)cc2n1C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.56
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSD P07339 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FASN P49327 1/20 0.39
HTR2B P41595 1/20 0.38
PPARG P37231 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
LDHA P00338 1/20 0.38
ACSS2 Q9NR19 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL30306282 0.87 CNR2 (0.73) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306286 0.86 CNR2 (0.57) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306275 0.85 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306263 0.85 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306310 0.85 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28654998 0.85 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306260 0.85 CNR2 (0.56) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306294 0.82 CNR2 (0.74) CNR2SMN1; SMN2PPARGACSS2KDM4E
SCHEMBL30306262 0.81 CNR2 (0.52) CNR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30306271 0.78 CNR2 (0.57) CNR2NPC1RAB9ASMN1; SMN2MEN1

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