SCHEMBL4771994

SCHEMBL4771994

CCCOc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4ccc(C(N)=O)cc4n3)cc2)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.59
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13585877 0.90 CENPE (0.72) CENPES1PR1S1PR3SUV39H2
SCHEMBL2105023 0.90 CENPE (0.72) CENPES1PR1S1PR3SUV39H2
SCHEMBL2103138 0.83 CENPE (0.71) CENPES1PR1S1PR3ALDH1A1
SCHEMBL13456913 0.82 CENPE (0.56) CENPES1PR1S1PR3ALDH1A1HPGD
SCHEMBL13183953 0.81 CENPE (0.57) CENPEALDH1A1HPGDSUV39H2NPC1
SCHEMBL3461323 0.80 CENPE (0.79) CENPES1PR1S1PR3ALDH1A1HPGD
SCHEMBL13161841 0.80 CENPE (0.79) CENPES1PR1S1PR3ALDH1A1HPGD
SCHEMBL10274283 0.78 CENPE (0.52) CENPES1PR1S1PR3ALDH1A1HPGD
SCHEMBL3461358 0.77 CENPE (0.83) CENPES1PR1S1PR3ALDH1A1HPGD
SCHEMBL2105698 0.77 CENPE (0.83) CENPES1PR1S1PR3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed