SCHEMBL28619699

SCHEMBL28619699

O=C(O)c1ccc(=O)n(-c2cccnc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
APP P05067 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ALOX12 P18054 1/20 0.40
ELANE P08246 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 1/20 0.38
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
MDM2 Q00987 1/20 0.36
MYC P01106 1/20 0.36

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
SCHEMBL30827698 0.78 ALOX12 (0.46) HTTGAAALDH1A1EP300KAT2B
SCHEMBL25528988 0.74 MYC (0.49) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL30174245 0.74 MYC (0.49) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL4812121 0.69 ALDH1A1 (0.43) HTTGAAALDH1A1EP300KAT2B
SCHEMBL30977158 0.69 ALDH1A1 (0.51) HTTGAAALDH1A1EP300KAT2B
SCHEMBL28265682 0.68 MKNK1 (0.48) ALDH1A1MAPTMKNK1MKNK2
SCHEMBL19377711 0.68 ALOX12 (0.45) ALDH1A1ALOX12MAPTRAB9AMDM2
SCHEMBL22872222 0.67 ALDH1A1 (0.43) HTTALDH1A1HSD17B10MAPK1L3MBTL1
SCHEMBL15713999 0.66 EP300 (0.46) HTTGAAALDH1A1EP300KAT2B
SCHEMBL28624151 0.66 EP300 (0.46) HTTGAAALDH1A1EP300KAT2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574055-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-10-29 CN disclosed
CN-113412258-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-09-17 CN disclosed