SCHEMBL4774981

SCHEMBL4774981

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(=O)(=O)Cc2ccccc2Cc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
DGAT2 Q96PD7 1/20 0.44
SCN3A Q9NY46 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NAMPT P43490 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4767854 0.87 MAPT (0.46) MAPTDGAT2SCN3APPARGPPARA
SCHEMBL4768151 0.84 MAPT (0.49) MAPTDGAT2SCN3APPARGPPARA
SCHEMBL4778543 0.82 DGAT2 (0.48) MAPTDGAT2SCN3ANAMPTNPSR1
SCHEMBL4775184 0.81 MAPT (0.41) MAPTDGAT2SCN3APPARGPPARA
SCHEMBL4773601 0.81 MAPT (0.39) MAPTDGAT2SCN3APPARGPPARA
SCHEMBL4775150 0.80 MAPT (0.40) MAPTDGAT2SCN3APPARGPPARA
SCHEMBL5572196 0.79 PPARA (0.42) MAPTDGAT2SCN3APPARGPPARA
SCHEMBL4770994 0.78 MAPT (0.41) MAPTDGAT2SCN3APPARGPPARA
SCHEMBL4774990 0.77 GAA (0.51) MAPTDGAT2NAMPTNPSR1HTT
SCHEMBL4775016 0.77 DGAT2 (0.46) MAPTDGAT2SCN3ANAMPTKMT2A

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