SCHEMBL24933639

SCHEMBL24933639

Cc1ncccc1COc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 4/20 0.40
FFAR1 O14842 2/20 0.40
MAOB P27338 1/20 0.39
HSD17B1 P14061 7/20 0.38
HSD17B2 P37059 7/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
DRD1 P21728 1/20 0.36
GYS1 P13807 1/20 0.36
PARP10 Q53GL7 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL30240735 0.90 MAOB (0.40) FFAR1MAOBHSD17B1HSD17B2GYS1
SCHEMBL24933521 0.90 MAOB (0.40) FFAR1MAOBHSD17B1HSD17B2GYS1
SCHEMBL30240673 0.89 PARP10 (0.39) FFAR1MAOBHSD17B1HSD17B2DRD1
SCHEMBL24933799 0.89 PARP10 (0.39) FFAR1MAOBHSD17B1HSD17B2DRD1
SCHEMBL24933641 0.89 MAOB (0.39) FFAR1MAOBHSD17B1HSD17B2GYS1
SCHEMBL30240668 0.89 MAOB (0.39) FFAR1MAOBHSD17B1HSD17B2GYS1
SCHEMBL24933222 0.86 PRKAB2 (0.44) MAOBHSD17B1HSD17B2PARP10
SCHEMBL30240675 0.86 HSD17B1 (0.41) FFAR1MAOBHSD17B1HSD17B2GYS1
SCHEMBL24933406 0.86 HSD17B1 (0.41) FFAR1MAOBHSD17B1HSD17B2GYS1
SCHEMBL24933735 0.84 HSD17B1 (0.41) MAOBHSD17B1HSD17B2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed