SCHEMBL24933199

SCHEMBL24933199

COc1cccc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.46
FFAR1 O14842 3/20 0.44
PARP15 Q460N3 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAOA P21397 1/20 0.41
PRKCZ Q05513 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PARP10 Q53GL7 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL30240807 1.00 MAOB (0.46) MAOBFFAR1PARP15RAB9ASMN1; SMN2
SCHEMBL24933637 0.90 MAOB (0.44) MAOBFFAR1RAB9ASMN1; SMN2NPC1
SCHEMBL30240765 0.89 MAOB (0.47) MAOBFFAR1PARP15MRGPRX4PARP10
SCHEMBL24932976 0.89 MAOB (0.52) MAOBPARP15RAB9ASMN1; SMN2NPC1
SCHEMBL30240782 0.89 MAOB (0.52) MAOBPARP15RAB9ASMN1; SMN2NPC1
SCHEMBL24933615 0.89 MAOB (0.60) MAOBFFAR1MAOAMRGPRX4
SCHEMBL24933362 0.89 MAOB (0.47) MAOBFFAR1PARP15MRGPRX4PARP10
SCHEMBL24933349 0.88 GSTP1 (0.50) MAOBFFAR1PARP10
SCHEMBL24932968 0.87 GRM2 (0.40) MAOBFFAR1ALDH1A1
SCHEMBL30240665 0.87 GRM2 (0.40) MAOBFFAR1ALDH1A1

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