SCHEMBL30289701

SCHEMBL30289701

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3cncn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL30289703 0.71 MEN1 (0.39) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL30289608 0.69 MEN1 (0.43) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL29153963 0.68 LMNA (0.53) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL30873347 0.68 LMNA (0.53) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL28298127 0.68 LMNA (0.77) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL31026840 0.67 NPM1 (0.40) MAPTMEN1ALDH1A1KMT2ACYP19A1
SCHEMBL12075881 0.67 LMNA (0.53) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL22878730 0.65 LMNA (0.51) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL31201055 0.65 LMNA (0.55) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL29937350 0.65 LMNA (0.55) LMNAMAPTTSHRCYP1A2CYP2D6

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-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 CN disclosed