SCHEMBL22904499

SCHEMBL22904499

O=C1NC(=O)C2(CC2)c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 3/20 0.47
▸ PARP10 Q53GL7 2/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ CMA1 P23946 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ S100A4 P26447 1/20 0.38
▸ AKR1A1 P14550 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ MAOA P21397 2/20 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
SCHEMBL24894969 0.86 TDP2 (0.51) TDP2PARP10PARP1TGM2CES1
SCHEMBL22745965 0.80 TDP2 (0.49) TDP2PARP10PARP1TGM2CES1
SCHEMBL24895273 0.80 TDP2 (0.49) TDP2PARP10PARP1TGM2CES1
SCHEMBL22745997 0.79 TDP2 (0.47) TDP2PARP10PARP1TGM2CES1
SCHEMBL15579296 0.79 CMA1 (0.49) TDP2TGM2CES1CMA1AHR
SCHEMBL31079938 0.79 CMA1 (0.49) TDP2TGM2CES1CMA1AHR
SCHEMBL22745703 0.77 TDP2 (0.45) TDP2PARP10PARP1TGM2CES1
SCHEMBL30644266 0.77 TDP2 (0.45) TDP2PARP10PARP1TGM2CES1
SCHEMBL22904372 0.77 TDP2 (0.45) TDP2PARP10PARP1TGM2CES1
SCHEMBL4296570 0.75 PGR (0.53) CMA1AHRAKR1B1L3MBTL1MEN1

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
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