SCHEMBL4777708

SCHEMBL4777708

CS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C(=O)NC2CCN(C(=O)O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 4/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39

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
SCHEMBL4777534 0.88 USP30 (0.52) MEN1KMT2AALDH1A1
SCHEMBL5567872 0.81 DRD2 (0.59) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL4777640 0.81 DRD2 (0.59) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL4774938 0.79 RECQL (0.49) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL4776728 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL5571358 0.76 ALDH1A1 (0.54) KMT2AALDH1A1GAAPOLBNPSR1
SCHEMBL4767920 0.76 NR1H4 (0.50) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL4767621 0.76 RECQL (0.49) KMT2AALDH1A1GAAPOLBNPSR1
SCHEMBL4777302 0.76 GAA (0.56) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL4777371 0.76 ALDH1A1 (0.57) KMT2AALDH1A1GAANPSR1RECQL

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 4 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 claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
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