SCHEMBL24933191

SCHEMBL24933191

N#CCc1cccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.40
HSD17B1 P14061 5/20 0.39
HSD17B2 P37059 5/20 0.39
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
PLA2G10 O15496 2/20 0.35
PLA2G2A P14555 2/20 0.35
SCN9A Q15858 2/20 0.35
MAPK8 P45983 1/20 0.35
MGLL Q99685 1/20 0.35
USP7 Q93009 1/20 0.35
PARP1 P09874 2/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
CDC7 O00311 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL24933350 0.88 RXRA (0.37) HSD17B1HSD17B2MAPK8CDC7
SCHEMBL24933185 0.86 PARP1 (0.46) HSD17B1HSD17B2PLA2G10PLA2G2ASCN9A
SCHEMBL24933348 0.83 CDC7 (0.47) HSD17B1HSD17B2MAPK8PARP1CDC7
SCHEMBL24933186 0.80 HSD17B1 (0.44) HSD17B1HSD17B2BRD4SCN9APARP1
SCHEMBL24932959 0.80 HSD17B1 (0.44) HSD17B1HSD17B2SCN9APARP1
SCHEMBL24932950 0.80 HSD17B2 (0.52) HSD17B1HSD17B2CDK2BRD4SCN9A
SCHEMBL30896148 0.79 HSD17B2 (0.53) HSD17B1HSD17B2BRD4CDC7
SCHEMBL24933754 0.79 HSD17B2 (0.53) HSD17B1HSD17B2BRD4CDC7
SCHEMBL24933175 0.77 HSD17B1 (0.42) HSD17B1HSD17B2SCN9APARP1
SCHEMBL24933771 0.77 IKBKB (0.42) HSD17B1HSD17B2PARP1

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 5 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
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
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
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed