SCHEMBL9030558

SCHEMBL9030558

COC(=O)c1sc(SC)c(N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 7/20 0.46
HSD17B10 Q99714 4/20 0.46
GAA P10253 3/20 0.46
GLA P06280 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX15 P16050 2/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
NCOA1 Q15788 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL3401657 0.82 GRIA4 (0.45) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL8281789 0.81 LMNA (0.55) KDM4EALDH1A1MAPTHSD17B10GAA
Hydrochloric Acid SCHEMBL1008231 0.80 LMNA (0.54) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL7021001 0.75 MAPT (0.52) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL23459501 0.73 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL9365788 0.71 GAA (0.47) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL9525785 0.70 GAA (0.40) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL5642877 0.69 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL1848132 0.69 KDM4E (0.49) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL9031450 0.69 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966220-B1 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORP (US) 2011-01-26 EP disclosed
EP-1765829-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORP (US) 2010-07-07 EP disclosed
WO-2007070393-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
EP-0483683-B1 Thienoimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-02-28 EP disclosed
US-5463073-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-31 US disclosed
EP-0483683-A2 Thienoimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-06 EP disclosed