SCHEMBL30306294

SCHEMBL30306294

COc1ccc2nc(C(C)(C)C)n(C(=O)c3ccccc3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.74
ACSS2 Q9NR19 2/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL30306268 0.85 CNR2 (1.00) CNR2PTGS1PTGS2LMNATSHR
SCHEMBL30306286 0.84 CNR2 (0.57) CNR2ACSS2LMNAKDM4EALDH1A1
SCHEMBL28654998 0.82 CNR2 (0.56) CNR2ACSS2LMNACYP1A2CYP2D6
SCHEMBL30306275 0.82 CNR2 (0.56) CNR2ACSS2CYP1A2CYP2D6CYP2C9
SCHEMBL30306310 0.82 CNR2 (0.56) CNR2ACSS2CYP1A2CYP2C9KDM4E
SCHEMBL30306260 0.82 CNR2 (0.56) CNR2PPARGMAPTSMN1; SMN2
SCHEMBL30306263 0.82 CNR2 (0.56) CNR2ACSS2LMNACYP1A2CYP2D6
SCHEMBL30306291 0.82 CNR2 (0.56) CNR2ACSS2PPARGKDM4ESMN1; SMN2
SCHEMBL30306262 0.79 CNR2 (0.52) CNR2LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL30306271 0.76 CNR2 (0.57) CNR2ACSS2LMNAKDM4EALDH1A1

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