SCHEMBL22790652

SCHEMBL22790652

CC(C)C#CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
CA12 O43570 6/20 0.44
CA9 Q16790 6/20 0.44
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
EPHX1 P07099 1/20 0.38
HTT P42858 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
CAPN1 P07384 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL24029506 0.82 TDP1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14952767 0.81 TDP1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1519817 0.80 MEN1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5201492 0.79 MEN1 (0.55) MEN1GAAKMT2ATDP1MAOA
SCHEMBL9696001 0.79 TDP1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6650033 0.78 TDP1 (0.61) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3020258 0.77 TDP1 (0.81) MEN1GAAKMT2ATDP1MAOA
SCHEMBL569251 0.77 TDP1 (0.74) MEN1GAAKMT2ATDP1MAOA
SCHEMBL22793999 0.77 TDP1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL25920772 0.77 TDP1 (0.51) MEN1GAAKMT2ATDP1MAOA

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-2021231778-A1 CORONAVIRUS PROTEASE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020251972-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed