SCHEMBL4776590

SCHEMBL4776590

CS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(N(C=O)Cc2ccccc2CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.39
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4775060 0.88 GAA (0.39) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4777347 0.83 NR1H4 (0.39) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4771365 0.83 GAA (0.37) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4777644 0.81 GAA (0.45) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4777314 0.81 GAA (0.38) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4776710 0.81 GAA (0.43) GAAALDH1A1MAPTLMNAMEN1
SCHEMBL5571819 0.80 SLC6A4 (0.42) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4777561 0.80 GAA (0.36) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4773507 0.80 GAA (0.42) GAAALDH1A1MAPTLMNAMEN1
SCHEMBL4771202 0.79 GAA (0.38) GAAALDH1A1RECQLMAPTLMNA

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-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed