SCHEMBL22904170

SCHEMBL22904170

O=C1Cc2c(F)cccc2C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 15/20 0.52
CASP3 P42574 1/20 0.52
CASP7 P55210 1/20 0.52
CASP9 P55211 1/20 0.52
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52
MAP3K14 Q99558 1/20 0.52
SRD5A1 P18405 1/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3B P49841 1/20 0.40
PGR P06401 1/20 0.38

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
SCHEMBL22904534 0.78 PARP1 (0.54) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22526396 0.78 PARP1 (0.54) TDP2CASP3CASP7CASP9CASP6
SCHEMBL18010801 0.78 CDK5 (0.58) TDP2CASP3CASP7CASP9CASP6
SCHEMBL261277 0.77 AHR (0.48) SRD5A1MEN1KMT2AGSK3B
SCHEMBL29622013 0.77 AHR (0.48) SRD5A1MEN1KMT2AGSK3B
SCHEMBL25123374 0.75 GSK3B (0.50) TDP2CASP3CASP7CASP9CASP6
SCHEMBL24029524 0.75 TDP2 (0.49) TDP2CASP3CASP7CASP9CASP6
SCHEMBL30459657 0.74 CDK5 (0.41) SRD5A1PGR
SCHEMBL29634952 0.74 SRD5A1 (0.42) SRD5A1KMT2APGR
SCHEMBL22525285 0.74 TDP2 (0.47) TDP2CASP3CASP7CASP9CASP6

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