SCHEMBL7737635

SCHEMBL7737635

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(O)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.55
F13A1 P00488 11/20 0.55
TGM1 P22735 8/20 0.55
PKM P14618 1/20 0.54
GPR119 Q8TDV5 1/20 0.52
TGFBR1 P36897 1/20 0.49
TGM3 Q08188 1/20 0.48
STS P08842 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ESR2 Q92731 1/20 0.46

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
SCHEMBL14696050 0.88 GAA (0.55) TGM2F13A1TGM1GPR119
SCHEMBL2378015 0.86 TGM2 (0.54) TGM2F13A1TGM1GPR119TGM3
SCHEMBL1181678 0.86 MEN1 (0.58) TGM2F13A1TGM1PKM
SCHEMBL5424584 0.86 PKLR (0.56) TGM2F13A1TGM1PKMGPR119
SCHEMBL2252120 0.85 TGM2 (0.63) TGM2F13A1TGM1GPR119
SCHEMBL4002690 0.85 TGM2 (0.53) TGM2F13A1TGM1GPR119TGFBR1
SCHEMBL3644720 0.85 MAPT (0.62) TGM2F13A1TGM1TDP1
SCHEMBL7736882 0.85 PKM (0.61) TGM2F13A1TGM1PKMGPR119
SCHEMBL2312877 0.84 LMNA (0.62) TGM2F13A1TGM1PKMTGFBR1
SCHEMBL29596865 0.82 TGM2 (0.50) TGM2F13A1TGM1GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413964-B1 14-AMINO-14-(1-METHYL-1H-IMIDAZOL-5-YL)-8-OXA-2-THIA-1,18 -DIAZATETRACYCLO(16.2.2.1(3,7).1(9,13))TETRACOSA-3(24),4,6, 9(23),10,12-HEXAENE-10-CARBONITRILE 2,2-DIOXIDE, FOR EXAMPLE; USE IN RADIOTHERAPY, CHEMOTHERAPY AS SENSITIZER MERCK & CO., INC. 2002-07-02 US disclosed
WO-2001051125-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 WO disclosed