SCHEMBL20826112

SCHEMBL20826112

C[C@H]1CCCN1C(=O)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CA14 Q9ULX7 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HTT P42858 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ CCNE1 P24864 2/20 0.52
▸ CDK2 P24941 2/20 0.52
▸ CNR2 P34972 1/20 0.49
▸ PDK2 Q15119 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ LOX P28300 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
SCHEMBL20811392 0.85 LOX (0.52) CNR2LOX
SCHEMBL20790942 0.85 CA2 (0.58) CA2CNR2LOX
SCHEMBL30525014 0.85 CA2 (0.58) CA2CNR2LOX
SCHEMBL30524884 0.84 LOX (0.53) CA2PDK2LOX
SCHEMBL30524740 0.84 LOX (0.53) CA2PDK2LOX
SCHEMBL30524711 0.84 LOX (0.53) CA2PDK2LOX
SCHEMBL20811866 0.83 TSHR (0.66) GAAHPGDCA12CA1CA2
SCHEMBL20811711 0.83 CNR2 (0.48) CNR2ROCK2
SCHEMBL10723873 0.82 HPGD (0.76) GAAHPGDCA12CA1CA2
SCHEMBL13753555 0.81 MEN1 (0.62) GAAHPGDCA12CA1CA2

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
WO-2019055590-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. (US) 2019-03-21 — — WO disclosed
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