SCHEMBL24933648

SCHEMBL24933648

CNC(=O)c1cccc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.49
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
MAOB P27338 3/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
HTT P42858 3/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PARP10 Q53GL7 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 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
SCHEMBL30240659 1.00 MRGPRX4 (0.49) MRGPRX4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL24932976 0.91 MAOB (0.52) MRGPRX4NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL30240782 0.91 MAOB (0.52) MRGPRX4NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL24933210 0.90 MAOB (0.47) MRGPRX4ALDH1A1MAOBHTTMAPT
SCHEMBL24932919 0.88 GYS1 (0.45) MRGPRX4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30240739 0.88 GYS1 (0.45) MRGPRX4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL24933199 0.85 MAOB (0.46) MRGPRX4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30240807 0.85 MAOB (0.46) MRGPRX4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL24933615 0.85 MAOB (0.60) MRGPRX4MAOBHTTMAPTNR4A2
SCHEMBL24933362 0.85 MAOB (0.47) MRGPRX4MAOBHTTMAPTPARP10

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