SCHEMBL210927

SCHEMBL210927

COC(=O)CCC[C@@H](COC(=O)Nc1cc(-c2ccc(F)cc2)on1)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TP53 P04637 4/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 6/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
THRB P10828 1/20 0.31
MAOB P27338 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL213271 0.95 SCD5 (0.34) KDM4ELMNANPC1RAB9APOLB
SCHEMBL212588 0.94 MAPT (0.34) KDM4ETP53LMNAHTTNPC1
SCHEMBL212860 0.93 KDM4E (0.38) KDM4ETP53LMNAHTTNPC1
SCHEMBL212349 0.90 MAPT (0.34) KDM4ETP53LMNANPC1RAB9A
SCHEMBL210986 0.89 SCD5 (0.35) KDM4ELMNARAB9APOLBMAPT
SCHEMBL211432 0.88 ALDH1A1 (0.33) KDM4ETP53LMNAHTTNPC1
SCHEMBL212145 0.88 KIT (0.31)
SCHEMBL212523 0.88 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2725422 0.87 KDM4E (0.37) KDM4ETP53LMNAHTTNPC1
SCHEMBL4350860 0.86 SCD5 (0.35) KDM4ETP53LMNARAB9APOLB

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