SCHEMBL24933019

SCHEMBL24933019

NC(=O)c1cc(-c2ccc(OCc3cc4ccc3o4)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.37
▸ HSD17B1 P14061 8/20 0.37
▸ HSD17B2 P37059 8/20 0.37
▸ MAOB P27338 3/20 0.36
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL24933261 0.83 DHODH (0.36) HSD17B1HSD17B2MAOBDHODHHDAC3
SCHEMBL24933016 0.82 HSD17B1 (0.38) PTGER4HSD17B1HSD17B2MAOB
SCHEMBL24933222 0.82 PRKAB2 (0.44) HSD17B1HSD17B2MAOBHDAC3PARP1
SCHEMBL30240742 0.82 KCNH2 (0.47) PTGER4MAOBFFAR1FFAR4
SCHEMBL30240735 0.82 MAOB (0.40) PTGER4HSD17B1HSD17B2MAOBFFAR1
SCHEMBL24933521 0.82 MAOB (0.40) PTGER4HSD17B1HSD17B2MAOBFFAR1
SCHEMBL24933219 0.82 KCNH2 (0.47) PTGER4MAOBFFAR1FFAR4
SCHEMBL24933501 0.82 PARP10 (0.40) MAOBFFAR1FFAR4
SCHEMBL30240661 0.82 PARP10 (0.40) MAOBFFAR1FFAR4
SCHEMBL24933256 0.81 PDK2 (0.43) HSD17B1HSD17B2FFAR1FFAR4DHODH

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
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