SCHEMBL1631953

SCHEMBL1631953

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CTSA P10619 2/20 0.39
LMNA P02545 1/20 0.35
GBA1 P04062 1/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2A1 P68400 2/20 0.35
RPS6KB1 P23443 1/20 0.35
AKT1 P31749 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
EGLN2 Q96KS0 4/20 0.34
EGLN1 Q9GZT9 2/20 0.34
CCNT1 O60563 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 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
SCHEMBL1632815 0.92 MAPT (0.39) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1632188 0.92 MAPT (0.39) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1632116 0.92 MEN1 (0.41) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1630459 0.92 MEN1 (0.41) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1631426 0.91 MAPT (0.38) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1632287 0.90 MAPT (0.39) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1632426 0.90 MAPT (0.39) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1629822 0.89 MAPT (0.39) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1632369 0.89 MAPT (0.39) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1632910 0.89 KDM4E (0.40) MAPTKDM4EMEN1KMT2AL3MBTL1

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