SCHEMBL28786646

SCHEMBL28786646

COC(=O)c1cc2[nH]c(C)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.44
KDR P35968 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
HPGD P15428 7/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
PTPN2 P17706 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL15615654 0.82 CSNK2A2 (0.40) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL2993837 0.76 PAK4 (0.43) CSNK2A2CSNK2BCSNK2A1HPGDKDM4E
SCHEMBL19439584 0.76 PTPN2 (0.49) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL2988657 0.74 CCNC (0.46) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL1245204 0.73 HPGD (0.42) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL12489731 0.72 CSNK2A2 (0.47) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL12545252 0.70 CSNK2A2 (0.51) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL13556331 0.69 HDAC1 (0.56) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL27412796 0.68 CDC7 (0.43) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL26983478 0.68 CSNK2A2 (0.52) CSNK2A2KDRCSNK2BCSNK2A1HPGD

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-113831337-B GLP-1 receptor agonist, and pharmaceutical composition and use thereof 广州市恒诺康医药科技有限公司 2023-03-24 CN disclosed
CN-113831337-A GLP-1 receptor agonist, and pharmaceutical composition and use thereof 广州市恒诺康医药科技有限公司 2021-12-24 CN disclosed