SCHEMBL28650263

SCHEMBL28650263

COC(=O)c1cc(Cl)c(C(F)(F)F)cc1Cc1ccc(F)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.39
SCN9A Q15858 4/20 0.37
EPAS1 Q99814 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
NR3C2 P08235 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL28655627 0.88 PLA2G2A (0.45) PLA2G2AMRGPRX4ALDH1A1HPGDSMN1; SMN2
SCHEMBL28662755 0.83 ALDH1A1 (0.39) PLA2G2ASCN9AMRGPRX4ALDH1A1HPGD
SCHEMBL22203190 0.82 ALDH1A1 (0.41) PLA2G2ASCN9AMRGPRX4ALDH1A1HPGD
SCHEMBL30065540 0.82 ALDH1A1 (0.41) PLA2G2ASCN9AMRGPRX4ALDH1A1HPGD
SCHEMBL28668984 0.78 TP53 (0.38) MRGPRX4ALDH1A1HPGDHSD17B10LMNA
SCHEMBL30065779 0.78 TP53 (0.38) MRGPRX4ALDH1A1HPGDHSD17B10LMNA
SCHEMBL4634289 0.76 FFAR4 (0.52) PLA2G2AEPAS1SMN1; SMN2FFAR4HSD17B10
SCHEMBL4634707 0.73 EPAS1 (0.47) PLA2G2AEPAS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL23727489 0.73 CFTR (0.44) SCN9AMRGPRX4ALDH1A1LMNAHTT
SCHEMBL22203189 0.72 NOTUM (0.41) SCN9ANOTUM

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-112996774-B 2-oxo-1,2-dihydropyridine derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
CN-112996774-A 2-oxo-1, 2-dihydropyridine derivatives, preparation method and application thereof in medicines 江苏恒瑞医药股份有限公司 2021-06-18 CN disclosed