SCHEMBL4774428

SCHEMBL4774428

Cc1cccc(C2[C@@H](C(=O)c3ccccc3)CN(C)C[C@@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
KIF11 P52732 1/20 0.40
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4020371 0.87 KIF11 (0.45) KMT2AMEN1ALDH1A1KIF11MAPK1
SCHEMBL4780207 0.86 L3MBTL1 (0.37) KMT2AMEN1ALDH1A1KIF11MAPK1
SCHEMBL4772352 0.86 L3MBTL1 (0.37) KMT2AMEN1ALDH1A1KIF11MAPK1
SCHEMBL4776377 0.86 KCNH2 (0.42) KMT2AMEN1ALDH1A1KIF11LMNA
SCHEMBL4020618 0.86 KIF11 (0.41) KMT2AMEN1ALDH1A1GAAKIF11
SCHEMBL4019539 0.85 KCNH2 (0.36) KMT2AMEN1ALDH1A1GAAKIF11
SCHEMBL4019541 0.85 KCNH2 (0.36) KMT2AMEN1ALDH1A1GAAKIF11
SCHEMBL4772648 0.85 KIF11 (0.44) KMT2AMEN1ALDH1A1KIF11MAPT
SCHEMBL4021208 0.85 GRIN2B (0.38) KMT2AMEN1ALDH1A1KIF11MAPT
SCHEMBL4021213 0.85 GRIN2B (0.38) KMT2AMEN1ALDH1A1KIF11MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed