SCHEMBL8138658

SCHEMBL8138658

Cc1nn(C)c(C)c1N=C=S

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
HCRTR1 O43613 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL1045012 0.79 KDM4E (0.35) GAAMEN1HCRTR1MAPTCASP1
SCHEMBL13784861 0.71 GAA (0.39) GAAMEN1HCRTR1MAPTCASP1
SCHEMBL17490721 0.70 GAA (0.35) GAAMEN1HCRTR1MAPTCASP1
SCHEMBL16707454 0.63 GABRA1 (0.41) ALDH1A1GABRA1GABRB2
SCHEMBL22637799 0.62 MAPT (0.54) GAAMEN1HCRTR1MAPTCASP1
SCHEMBL22637800 0.62 MAPT (0.54) GAAMEN1HCRTR1MAPTCASP1
SCHEMBL21597560 0.61 SMN1; SMN2 (0.33) MEN1KMT2A
SCHEMBL16707452 0.61 GABRA1 (0.39) ALDH1A1GABRA1GABRB2
SCHEMBL77248 0.61
SCHEMBL22637380 0.61 MAPT (0.38) GAAMEN1HCRTR1MAPTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011053-A USE TO ELEVATE HDL CHOLESTEROL CONCENTRATIONS, WHICH MAY BE USEFUL IN THE TREATMENT OF ATHEROSCLEROTIC CONDITIONS SUCH AS DYSLIPOPROTEINEMIAS AND CORONARY HEART DISEASE. AMERICAN HOME PRODUCTS CORPORATION (US) 2000-01-04 US disclosed
WO-1999011618-A1 SUBSTITUTED INDOLE-1-CARBOTHIOIC ACID AMIDES AS NOVEL ANTIATHEROSCLEROTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-11 WO disclosed
US-4108982-A DIURETICS, HYPOTENSIVE AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1978-08-22 US disclosed