SCHEMBL23174841

SCHEMBL23174841

CCc1cc(CC#N)no1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 1/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL26922502 0.80 MEN1 (0.33) MAPTSMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL9285410 0.79
SCHEMBL3322605 0.76
SCHEMBL8876022 0.75 PPARA (0.38) PPARA
SCHEMBL26659533 0.75 NLRP3 (0.35) SMN1; SMN2PPARA
SCHEMBL15273883 0.74 EPHX2 (0.38) MAPTTP53THRBHSP90AA1HSP90AB1
SCHEMBL4861039 0.74
SCHEMBL12450498 0.74 PPARA (0.45) TP53SMN1; SMN2PPARAALDH1A1
SCHEMBL2759543 0.74
SCHEMBL4469220 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021132524-A1 EPOXY AZEPAN DERIVATIVE 日本ケミファ株式会社 2021-07-01 WO disclosed
WO-2021132524-A1 EPOXY AZEPAN DERIVATIVE 日本ケミファ株式会社 2021-07-01 WO disclosed
WO-2021065898-A1 AZEPAN DERIVATIVE 日本ケミファ株式会社 2021-04-08 WO disclosed
WO-2021065898-A1 AZEPAN DERIVATIVE 日本ケミファ株式会社 2021-04-08 WO disclosed