SCHEMBL24933394

SCHEMBL24933394

NC(=O)c1cc(-c2ccc(OCc3cncc(Br)c3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.39
PARP10 Q53GL7 2/20 0.39
PARP14 Q460N5 1/20 0.38
MAOB P27338 3/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HDAC3 O15379 1/20 0.35
PARP1 P09874 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL30240728 1.00 PARP15 (0.39) PARP15PARP10PARP14MAOBMAPT
SCHEMBL30240770 0.89 PRKAB2 (0.40) MAOBHDAC3PARP1HDAC4HDAC1
SCHEMBL30240745 0.89 HSD17B1 (0.40) PARP10MAOBHDAC3PARP1HDAC4
SCHEMBL24933267 0.89 HSD17B1 (0.40) PARP10MAOBHDAC3PARP1HDAC4
SCHEMBL24933819 0.89 PRKAB2 (0.40) MAOBHDAC3PARP1HDAC4HDAC1
SCHEMBL24933463 0.89 HSD17B1 (0.41) PARP10MAOBHDAC3PARP1HDAC4
SCHEMBL30240665 0.88 GRM2 (0.40) MAOBMAPTBLMGPR55PARP1
SCHEMBL24932968 0.88 GRM2 (0.40) MAOBMAPTBLMGPR55PARP1
SCHEMBL24933801 0.87 CD274 (0.44)
SCHEMBL24933190 0.86 PRKAB2 (0.48) MAOBPRKAB2PRKAG1PRKAA2PRKAA1

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