SCHEMBL211761

SCHEMBL211761

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](CNCC(F)F)COC(=O)Nc1cc(-c2cccc(F)c2)no1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.36
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPK1 P28482 1/20 0.31
USP30 Q70CQ3 2/20 0.30
PTGES O14684 1/20 0.30
RORC P51449 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
SCHEMBL211762 1.00 MAPT (0.36) MAPTEPHX2KDM4EALDH1A1LMNA
SCHEMBL211760 1.00 MAPT (0.36) MAPTEPHX2KDM4EALDH1A1LMNA
SCHEMBL2725247 0.94 MAPT (0.41) MAPTKDM4EALDH1A1THRBTP53
SCHEMBL2727292 0.91 MAPT (0.35) MAPTEPHX2KDM4EALDH1A1LMNA
SCHEMBL2725253 0.90 KDM4E (0.33) MAPTKDM4EALDH1A1TP53MAPK1
SCHEMBL213927 0.89 MAPT (0.36) MAPTEPHX2KDM4EALDH1A1LMNA
SCHEMBL9607957 0.89 MAPT (0.38) MAPTEPHX2KDM4EALDH1A1LMNA
SCHEMBL214098 0.89 MAPT (0.38) MAPTEPHX2KDM4EALDH1A1LMNA
SCHEMBL14733485 0.89 MAPT (0.37) MAPTEPHX2KDM4EALDH1A1LMNA
SCHEMBL2839609 0.89 MAPT (0.38) MAPTEPHX2KDM4EALDH1A1LMNA

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