SCHEMBL24933457

SCHEMBL24933457

CS(=O)(=O)c1cccc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
FFAR1 O14842 3/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NR1H3 Q13133 3/20 0.39
NR1H2 P55055 2/20 0.39
PARP10 Q53GL7 2/20 0.39
ADRA1D P25100 1/20 0.38
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
PARP15 Q460N3 1/20 0.38
NR4A2 P43354 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL30240760 1.00 MAOB (0.43) MAOBFFAR1ADAMTS4MMP13ADAMTS5
SCHEMBL24933351 0.90 MAOB (0.41) MAOBFFAR1ADAMTS4MMP13PARP10
SCHEMBL30240693 0.87 MAOB (0.41) MAOBFFAR1ADAMTS4MMP13ADAMTS5
SCHEMBL24933346 0.87 MAOB (0.41) MAOBFFAR1ADAMTS4MMP13ADAMTS5
SCHEMBL30240807 0.86 MAOB (0.46) MAOBFFAR1PARP10PARP15MRGPRX4
SCHEMBL24933199 0.86 MAOB (0.46) MAOBFFAR1PARP10PARP15MRGPRX4
SCHEMBL24933615 0.86 MAOB (0.60) MAOBFFAR1ADAMTS4MMP13ADAMTS5
SCHEMBL24932976 0.86 MAOB (0.52) MAOBCYP4F2CYP4A11PARP10PARP15
SCHEMBL24933362 0.86 MAOB (0.47) MAOBFFAR1PARP10PARP15NR4A2
SCHEMBL30240782 0.86 MAOB (0.52) MAOBCYP4F2CYP4A11PARP10PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN claimed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed