SCHEMBL211534

SCHEMBL211534

COC(=O)CCC[C@@H](COC(=O)Nc1nnc(-c2ccccc2)s1)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 6/20 0.40
CSNK2A1 P68400 6/20 0.40
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GLS O94925 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34

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
SCHEMBL211215 0.95 CSNK2A2 (0.39) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1
SCHEMBL211918 0.94 RXFP1 (0.40) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1
SCHEMBL213354 0.94 KDM4E (0.43) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1
SCHEMBL211757 0.94 CSNK2A2 (0.41) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1
SCHEMBL212054 0.94 CSNK2A2 (0.38) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1
SCHEMBL213263 0.94 KDM4E (0.45) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1
SCHEMBL212239 0.94 CSNK2A2 (0.38) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1
SCHEMBL211530 0.92 CSNK2A2 (0.37) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1
SCHEMBL213581 0.90 CSNK2A2 (0.42) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1
SCHEMBL213026 0.89 RAB9A (0.45) CSNK2A2CSNK2A1KDM4EHSD17B10ALDH1A1

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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed