SCHEMBL1630979

SCHEMBL1630979

CC[C@@H](NC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSA P10619 1/20 0.39
CTSB P07858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GBA1 P04062 1/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2A1 P68400 2/20 0.35
ITGB1 P05556 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1632910 1.00 KDM4E (0.40) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL1630578 0.93 MAPT (0.40) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL1632079 0.93 MAPT (0.40) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL1632516 0.92 MAPT (0.40) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL1630868 0.92 MAPT (0.40) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL1632116 0.90 MEN1 (0.41) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL1630459 0.90 MEN1 (0.41) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL1631953 0.89 MAPT (0.40) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL1632287 0.88 MAPT (0.39) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL1632426 0.88 MAPT (0.39) KDM4EL3MBTL1MEN1MAPTKMT2A

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-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed