SCHEMBL10801134

SCHEMBL10801134

COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)sc1OC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPT P10636 1/20 0.33
MEP1B Q16820 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PKM P14618 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11015128 0.81 ALDH1A1 (0.40) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL10805519 0.80 GAA (0.32) GAAKDM4ENPC1MAPTL3MBTL1
SCHEMBL15327693 0.72 NOTUM (0.33) GAAKDM4ENPC1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL10800905 0.70 CFTR (0.37) HPGDL3MBTL1ATM
SCHEMBL11358616 0.69 GAA (0.41) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL10430053 0.67 KDM4E (0.44) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL11353190 0.66 KMT2A (0.36) CA12CA2CA14MAPTL3MBTL1
SCHEMBL10430074 0.64 ALDH1A1 (0.47) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL11553522 0.63 ALDH1A1 (0.46) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL9505292 0.63 CUL4A (0.36) ALDH1A1GAAKDM4ECA12CA2

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
EP-0103142-B1 THIENO(2,3-E)-1,2-THIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-04-22 EP disclosed
EP-0103142-A1 Thieno(2,3-e)-1,2-thiazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-03-21 EP disclosed