SCHEMBL213271

SCHEMBL213271

COC(=O)CCC[C@@H](COC(=O)Nc1cc(-c2ccccc2)on1)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.34
SCD O00767 1/20 0.34
MAPT P10636 4/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 2/20 0.31
BRAF P15056 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 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
SCHEMBL212349 0.95 MAPT (0.34) SCD5SCDMAPTRAB9ALMNA
SCHEMBL210927 0.95 KDM4E (0.37) MAPTRAB9ALMNAL3MBTL1KDM4E
SCHEMBL210986 0.94 SCD5 (0.35) SCD5SCDMAPTRAB9ALMNA
SCHEMBL212588 0.94 MAPT (0.34) MAPTRAB9ALMNAL3MBTL1KDM4E
SCHEMBL4350860 0.91 SCD5 (0.35) SCD5SCDMAPTRAB9ALMNA
SCHEMBL212595 0.91 MAPT (0.34) SCD5SCDMAPTRAB9ALMNA
SCHEMBL212860 0.90 KDM4E (0.38) SCD5SCDMAPTRAB9ALMNA
SCHEMBL212791 0.89 MAPT (0.40) SCD5SCDMAPTRAB9AKDM4E
SCHEMBL211432 0.88 ALDH1A1 (0.33) SCD5SCDMAPTRAB9ALMNA
SCHEMBL212145 0.88 KIT (0.31)

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