SCHEMBL214863

SCHEMBL214863

COC(=O)CCC[C@@H](COC(=O)Nc1ccc(Cl)cn1)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.34
PTK2 Q05397 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL211422 0.93 TDP1 (0.40) TDP1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL212048 0.90 POLB (0.35) TDP1NPC1POLBRAB9A
SCHEMBL211133 0.87 CTSK (0.35) ALDH1A1MAPK1KDM4ERAB9A
SCHEMBL211083 0.87 CTSK (0.35) ALDH1A1MAPK1KDM4ERAB9A
SCHEMBL2723900 0.86 TDP1 (0.41) TDP1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL211648 0.85 ABL1 (0.33)
SCHEMBL212239 0.83 CSNK2A2 (0.38) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL210546 0.83 CTSK (0.34) TDP1ALDH1A1MAPTL3MBTL1
SCHEMBL211861 0.83 CTSK (0.34)
SCHEMBL213235 0.83 GAA (0.35) NPC1POLBRAB9A

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