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SCHEMBL4606530

SCHEMBL4606530

Cc1ccc(F)cc1C=CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)O)C2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ GRM1 Q13255 9/20 0.49
▸ TGFBR1 P36897 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ GRM5 P41594 2/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL4603171 0.94 MEN1 (0.52) MEN1KMT2AGRM1TGFBR1POLB
SCHEMBL3356582 0.90 L3MBTL1 (0.55) MEN1KMT2AGRM1TGFBR1POLB
SCHEMBL13166172 0.90 L3MBTL1 (0.55) MEN1KMT2AGRM1TGFBR1POLB
SCHEMBL4605559 0.89 MEN1 (0.55) MEN1KMT2AGRM1TGFBR1POLB
SCHEMBL4604442 0.87 TGFBR1 (0.58) MEN1KMT2AGRM1TGFBR1POLB
SCHEMBL4605516 0.85 MEN1 (0.50) MEN1KMT2AGRM1TGFBR1POLB
SCHEMBL4604467 0.85 MEN1 (0.51) MEN1KMT2AGRM1TGFBR1POLB
SCHEMBL4603267 0.85 GRM1 (0.54) MEN1KMT2AGRM1TGFBR1POLB
SCHEMBL14141064 0.85 MEN1 (0.55) MEN1KMT2AGRM1TGFBR1POLB
SCHEMBL4606103 0.85 MEN1 (0.55) MEN1KMT2AGRM1TGFBR1POLB

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
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 — — EP claimed