SCHEMBL9868958

SCHEMBL9868958

CCc1cccc(OC(N)=S)c1CC.NC(O)=S

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
PLA2G1B P04054 2/20 0.34
PLA2G2A P14555 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33

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
SCHEMBL28413103 0.97 GABRA1 (0.39) GABRA1GABRB2HTTMAPTALDH1A1
SCHEMBL5553018 0.85 L3MBTL1 (0.43) GABRA1GABRB2MAPTALDH1A1GAA
SCHEMBL2130141 0.83 L3MBTL1 (0.42) MAPTALDH1A1GAAL3MBTL1NPSR1
SCHEMBL9124756 0.83 L3MBTL1 (0.42) MAPTALDH1A1GAAL3MBTL1NPSR1
SCHEMBL30945831 0.81 MEN1 (0.41) GABRA1GABRB2MAPTALDH1A1PPARA
SCHEMBL1840665 0.81 MEN1 (0.41) GABRA1GABRB2MAPTALDH1A1PPARA
SCHEMBL15173321 0.81 L3MBTL1 (0.46) GABRA1GABRB2MAPTALDH1A1GAA
SCHEMBL1836388 0.80 GABRA1 (0.42) GABRA1GABRB2MAPTPPARAPPARG
SCHEMBL27432911 0.80 L3MBTL1 (0.44) GABRA1GABRB2MAPTALDH1A1GAA
SCHEMBL4847681 0.79 ALDH1A1 (0.37) HTTMAPTALDH1A1GAAL3MBTL1

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
US-5055211-A Lubricating oil containing a mixed ligand metal complex and a metal thiophosphate EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-10-08 US disclosed