SCHEMBL28817153

SCHEMBL28817153

COc1cc(C)c(NC(C)=O)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
PTPRB P23467 1/20 0.51
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 1/20 0.44
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
FFAR4 Q5NUL3 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9031311 0.89 HPGD (0.62) HPGDHSD17B10PTPRBCYP3A4USP2
SCHEMBL21807185 0.89 USP2 (0.46) HSD17B10MAPTNPC1RAB9AUSP2
SCHEMBL25648755 0.81 HPGD (0.50) HPGDHSD17B10PTPRBMAPTNPC1
SCHEMBL23885544 0.81 CYP1A2 (0.43) HPGDMAPTNPC1RAB9ACYP3A4
SCHEMBL31218457 0.80 ALDH1A1 (0.45) HPGDHSD17B10PTPRBMAPTMEN1
SCHEMBL21979989 0.80 ALDH1A1 (0.45) HPGDHSD17B10PTPRBMAPTMEN1
SCHEMBL31748002 0.77 KDM4E (0.44) HPGDHSD17B10PTPRBMAPTNPC1
SCHEMBL25272394 0.76 ALDH1A1 (0.46) HPGDHSD17B10PTPRBMAPTNPC1
SCHEMBL6433021 0.76 ALDH1A1 (0.57) HPGDHSD17B10PTPRBMAPTNPC1
SCHEMBL31465663 0.75 ALDH1A1 (0.47) HPGDHSD17B10PTPRBMAPTCYP3A4

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-108341774-B Substituted quinolinone inhibitors 首药控股(北京)股份有限公司 2022-07-19 CN disclosed