SCHEMBL212588

SCHEMBL212588

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 5/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 4/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL210927 0.94 KDM4E (0.37) MAPTTP53POLBRAB9ASMN1; SMN2
SCHEMBL211432 0.94 ALDH1A1 (0.33) MAPTTP53ALDH1A1POLBRAB9A
SCHEMBL213271 0.94 SCD5 (0.34) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL212349 0.89 MAPT (0.34) MAPTTP53ALDH1A1POLBRAB9A
SCHEMBL212860 0.88 KDM4E (0.38) MAPTTP53POLBRAB9ASMN1; SMN2
SCHEMBL210986 0.88 SCD5 (0.35) MAPTALDH1A1POLBRAB9AMEN1
SCHEMBL2725869 0.87 MAPT (0.34) MAPTTP53ALDH1A1POLBRAB9A
SCHEMBL212145 0.86 KIT (0.31)
SCHEMBL212523 0.86 SMN1; SMN2 (0.35) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL212054 0.86 CSNK2A2 (0.38) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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