SCHEMBL5140882

SCHEMBL5140882

Cc1ccc(NN(C=O)c2cccc(CN3CCN(C(=O)OCC(=O)O)CC3)c2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 5/20 0.41
POLB P06746 1/20 0.41
MGLL Q99685 4/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
MPI P34949 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 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
SCHEMBL5070353 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBKMT2ATDP1
SCHEMBL5070139 0.87 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL4005590 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBKMT2ATDP1
SCHEMBL4005392 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL3212590 0.80 RORC (0.45) ALDH1A1KDM4EPOLBMGLLKMT2A
SCHEMBL5134714 0.80 MEN1 (0.32) KMT2AMEN1
SCHEMBL4007863 0.80 GPR6 (0.38) ALDH1A1KDM4EPOLBMGLLLMNA
SCHEMBL5070149 0.80 RORC (0.41) MGLL
SCHEMBL5070391 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBKMT2ATDP1
SCHEMBL4011678 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBMGLLKMT2A

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-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed