SCHEMBL22904145

SCHEMBL22904145

O=C1Cc2cccc(Cc3ccccc3)c2C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 7/20 0.54
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
MAP3K14 Q99558 1/20 0.47
AHR P35869 2/20 0.42
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
DAO P14920 1/20 0.38
HTT P42858 1/20 0.37
NR1H2 P55055 1/20 0.36

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
SCHEMBL31513819 0.81 AHR (0.51) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904362 0.80 TDP2 (0.58) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904354 0.80 TDP2 (0.58) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904286 0.78 TDP2 (0.50) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904287 0.78 TDP2 (0.50) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904296 0.75 TDP2 (0.50) TDP2CASP3CASP7CASP9CASP6
SCHEMBL1122916 0.74 CASP3 (0.49) CASP3CASP7CASP6CASP8ALDH1A1
SCHEMBL27640476 0.74 MAOA (0.52) CASP7ALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL20886849 0.74 TDP2 (0.64) TDP2CASP3CASP7CASP9CASP6
SCHEMBL8917078 0.72 DRD2 (0.46) CASP7ALDH1A1SMN1; SMN2NR1H2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed