SCHEMBL24933219

SCHEMBL24933219

N#Cc1ccccc1COc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
FFAR1 O14842 3/20 0.44
MAOB P27338 4/20 0.42
AKR1B1 P15121 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
XDH P47989 1/20 0.38
ALKBH1 Q13686 1/20 0.38
PARP10 Q53GL7 3/20 0.37
PARP15 Q460N3 2/20 0.37
PARP14 Q460N5 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGER4 P35408 1/20 0.37
PTPN1 P18031 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
SCHEMBL30240742 1.00 KCNH2 (0.47) KCNH2FFAR1MAOBAKR1B1SPHK2
SCHEMBL24933800 0.85 KCNH2 (0.44) KCNH2FFAR1MAOBAKR1B1PARP10
SCHEMBL24933349 0.84 GSTP1 (0.50) FFAR1MAOBAKR1B1XDHPARP10
SCHEMBL24933666 0.84 KCNH2 (0.48) KCNH2FFAR1MAOBSPHK2ADAMTS4
SCHEMBL24933492 0.83 MAOB (0.47) FFAR1MAOBFFAR4PARP10PARP15
SCHEMBL30240735 0.83 MAOB (0.40) FFAR1MAOBFFAR4PARP10PARP15
SCHEMBL24933521 0.83 MAOB (0.40) FFAR1MAOBFFAR4PARP10PARP15
SCHEMBL24933641 0.82 MAOB (0.39) FFAR1MAOBFFAR4PARP10PARP15
SCHEMBL24933639 0.82 NMT1 (0.40) FFAR1MAOBFFAR4PARP10PARP15
SCHEMBL30240668 0.82 MAOB (0.39) FFAR1MAOBFFAR4PARP10PARP15

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