SCHEMBL28300057

SCHEMBL28300057

CC(C)(C)OC(=O)NCCCS(=O)(=O)CCO

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA1 P00915 11/20 0.46
CA2 P00918 11/20 0.46
CA12 O43570 7/20 0.46
CA9 Q16790 7/20 0.46
EPHX1 P07099 1/20 0.39
HTT P42858 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MALT1 Q9UDY8 1/20 0.37
ACHE P22303 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
SCHEMBL1455954 0.90 TDP1 (0.57) TDP1MEN1GAAKMT2AMAOA
SCHEMBL16129332 0.83 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL9417501 0.81 TDP1 (0.80) TDP1MEN1GAAKMT2AMAOA
SCHEMBL28301448 0.81 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL917886 0.81 TDP1 (0.64) TDP1MEN1GAAKMT2AMAOA
SCHEMBL23730039 0.81 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL321315 0.81 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8358125 0.80 TDP1 (0.90) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22829019 0.80 TDP1 (0.57) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5908856 0.80 TDP1 (0.57) 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
CN-109897011-A A kind of IDO inhibitor and its application 上海华汇拓医药科技有限公司 2019-06-18 CN disclosed