SCHEMBL10954828

SCHEMBL10954828

Nc1nnc(CCCS)s1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.72
▸ POLB P06746 4/20 0.72
▸ GLS O94925 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ATM Q13315 1/20 0.48
▸ F2 P00734 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10952704 0.94 ALDH1A1 (0.76) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL10950901 0.86 — —
SCHEMBL14977428 0.86 ALDH1A1 (0.86) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL14975757 0.86 ALDH1A1 (0.95) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL14986945 0.84 ALDH1A1 (1.00) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL1968819 0.80 ALDH1A1 (0.88) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL20522336 0.78 ALDH1A1 (0.72) ALDH1A1POLBGLSL3MBTL1GAA
Hydrochloric Acid SCHEMBL20475888 0.78 ALDH1A1 (0.85) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL7323305 0.78 ALDH1A1 (0.72) ALDH1A1POLBGLSL3MBTL1GAA
SCHEMBL17402474 0.78 ALDH1A1 (0.79) ALDH1A1POLBGLSL3MBTL1GAA

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-4536189-A FUEL ADDITIVE FOR GASOHOL TEXACO INC. (US) 1985-08-20 — — US disclosed
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