SCHEMBL23745158

SCHEMBL23745158

CC(C)(Br)CC(C)(C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 7/20 0.41
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA9 Q16790 7/20 0.41
EPHX1 P07099 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BCHE P06276 1/20 0.37
NQO2 P16083 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 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
SCHEMBL28854600 0.87 TDP1 (0.46) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21982962 0.83 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL23905247 0.81 TDP1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21687368 0.80 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1164569 0.80 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL19155344 0.80 TDP1 (0.68) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21687743 0.79 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1932247 0.79 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3085905 0.78 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL11988220 0.77 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA

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-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed