SCHEMBL24933346

SCHEMBL24933346

CS(=O)(=O)Nc1cccc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHUK O15111 3/20 0.40
INSR P06213 1/20 0.40
MAPK8 P45983 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
IKBKB O14920 2/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
ADRB3 P13945 1/20 0.38
ADRA1A P35348 1/20 0.38
SCN9A Q15858 1/20 0.38
ABL1 P00519 2/20 0.38
KIF11 P52732 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL30240693 1.00 MAOB (0.41) MAOBNPC1ARHPGDRAB9A
SCHEMBL24933344 0.88 SIRT2 (0.48) MAOBNPC1RAB9A
SCHEMBL30240716 0.88 SIRT2 (0.48) MAOBNPC1RAB9A
SCHEMBL24933661 0.87 MAOB (0.42) MAOBPARP10HSD17B1HSD17B2MRGPRX4
SCHEMBL24933457 0.87 MAOB (0.43) MAOBADAMTS4MMP13ADAMTS5PARP10
SCHEMBL30240760 0.87 MAOB (0.43) MAOBADAMTS4MMP13ADAMTS5PARP10
SCHEMBL30240807 0.84 MAOB (0.46) MAOBNPC1RAB9ASMN1; SMN2PARP10
SCHEMBL24933199 0.84 MAOB (0.46) MAOBNPC1RAB9ASMN1; SMN2PARP10
SCHEMBL24932976 0.84 MAOB (0.52) MAOBNPC1RAB9ASMN1; SMN2PARP10
SCHEMBL24933362 0.84 MAOB (0.47) MAOBPARP10FFAR1MRGPRX4

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