SCHEMBL5506781

SCHEMBL5506781

COCC(=O)N1CCc2c(sc(-c3[c]cccc3)c2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GRM1 Q13255 9/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ BPTF Q12830 1/20 0.41
▸ GRM5 P41594 2/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL2960524 0.76 BPTF (0.70) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL4215010 0.76 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL4521225 0.73 MEN1 (0.65) MEN1KMT2AGRM1MAPK10L3MBTL1
SCHEMBL3349162 0.72 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3349176 0.72 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2961251 0.70 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1GRM1
SCHEMBL5118148 0.70 MAPT (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3357365 0.70 TGFBR1 (0.55) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3357379 0.70 TGFBR1 (0.55) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL5118141 0.69 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1HPGD

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-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 — — EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 — — WO disclosed
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