SCHEMBL28831778

SCHEMBL28831778

C=Cc1ccc(OCc2ccc(OC)cc2)c(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.46
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CSF1R P07333 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
XDH P47989 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL21377667 0.85 ADAMTS5 (0.55) KMT2ATDP1MEN1ALDH1A1KDM4E
SCHEMBL6216328 0.80 NPC1 (0.52) MAOBMAOAXDHNPC1RAB9A
SCHEMBL31403188 0.80 MAOB (0.63) MAOBMAOAXDHNPC1RAB9A
SCHEMBL4709886 0.80 APP (0.56) MAOBMAOACSF1RXDHNPC1
SCHEMBL31496915 0.80 FFAR1 (0.52) MAOBMAOAXDHNPC1RAB9A
SCHEMBL9861768 0.79 SMN1; SMN2 (0.58) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL16950440 0.79 ALDH1A1 (0.56) MAOBMAOAKMT2AMEN1ALDH1A1
SCHEMBL23143207 0.78 XDH (0.51) ALDH1A1KDM4EXDHNPC1RAB9A
SCHEMBL16959750 0.78 XDH (0.41) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL5973009 0.77 ENPP2 (0.53) MAOBMAOAXDHNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026081-B Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东有限责任公司 2025-02-11 CN disclosed
CN-114026081-A Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东公司 2022-02-08 CN disclosed