SCHEMBL212523

SCHEMBL212523

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 4/20 0.33
BRAF P15056 3/20 0.33
POLB P06746 1/20 0.33
RAF1 P04049 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FLT3 P36888 2/20 0.32
EGFR P00533 1/20 0.32
MAPK13 O15264 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL212145 0.94 KIT (0.31)
SCHEMBL211532 0.93 SMN1; SMN2 (0.35) SMN1; SMN2TDP1NPC1RAB9AMAPK14
SCHEMBL213271 0.88 SCD5 (0.34) NPC1RAB9ABRAFPOLBMEN1
SCHEMBL210927 0.88 KDM4E (0.37) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL215012 0.87 KIT (0.30)
SCHEMBL2727393 0.87 SMN1; SMN2 (0.35) SMN1; SMN2TDP1NPC1RAB9APDGFRB
SCHEMBL212588 0.86 MAPT (0.34) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL212349 0.84 MAPT (0.34) NPC1RAB9ABRAFPOLBMEN1
SCHEMBL212791 0.83 MAPT (0.40) SMN1; SMN2NPC1RAB9ABRAFMEN1
SCHEMBL211083 0.83 CTSK (0.35) RAB9A

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