SCHEMBL30306259

SCHEMBL30306259

CC(C)(C)c1nc2ccccc2n1C(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CNR2 P34972 2/20 0.48
TBXA2R P21731 4/20 0.46
NOD1 Q9Y239 3/20 0.45
DRD2 P14416 2/20 0.44
NOD2 Q9HC29 2/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
TSPO P30536 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GSK3B P49841 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TNF P01375 1/20 0.40
CXCL8 P10145 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
SCHEMBL30306293 0.90 MEN1 (0.66) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL30306267 0.89 NPC1 (0.55) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL30306287 0.79 CNR2 (0.73) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL28649730 0.79 CNR2 (0.73) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL30306272 0.78 CNR2 (0.52) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL30306265 0.78 CNR2 (0.55) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL29065543 0.76 CNR2 (0.62) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL7761087 0.74 GALR3 (0.67) RAB9AKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL30306303 0.74 CNR2 (0.48) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL30306278 0.73 CNR2 (0.62) RAB9ANPC1KMT2ASMN1; 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