SCHEMBL212349

SCHEMBL212349

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCD5 Q86SK9 3/20 0.33
SCD O00767 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.33
BRAF P15056 1/20 0.32
NPC1 O15118 1/20 0.32
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
SCHEMBL213271 0.95 SCD5 (0.34) MAPTRAB9ALMNAL3MBTL1SCD5
SCHEMBL212595 0.94 MAPT (0.34) MAPTRAB9ALMNAL3MBTL1SCD5
SCHEMBL210986 0.91 SCD5 (0.35) MAPTRAB9ALMNAL3MBTL1SCD5
SCHEMBL210927 0.90 KDM4E (0.37) MAPTRAB9ALMNAL3MBTL1KDM4E
SCHEMBL4350860 0.89 SCD5 (0.35) MAPTRAB9ALMNAL3MBTL1SCD5
SCHEMBL212588 0.89 MAPT (0.34) MAPTRAB9ALMNAL3MBTL1KDM4E
SCHEMBL210463 0.89 MAPT (0.41) MAPTRAB9AKDM4EMEN1THRB
SCHEMBL4345650 0.88 MAPT (0.33) MAPTRAB9ALMNAL3MBTL1SCD5
SCHEMBL2841374 0.87 MAOB (0.35) MAPTRAB9ALMNAL3MBTL1SCD5
SCHEMBL212860 0.87 KDM4E (0.38) MAPTRAB9ALMNAL3MBTL1SCD5

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