SCHEMBL362746

SCHEMBL362746

CC(C)Oc1ccc(C(=O)NCC(Cc2ccc(-c3cn4cccc(CCO)c4n3)cc2)NC(=O)CN(C)C)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.73
▸ KIFC1 Q9BW19 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A2 O94788 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35
▸ P2RX3 P56373 3/20 0.35
▸ WDR5 P61964 3/20 0.34
▸ SUV39H2 Q9H5I1 2/20 0.33
▸ PPARG P37231 1/20 0.32
▸ S1PR1 P21453 4/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32

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
SCHEMBL362745 0.95 CENPE (0.81) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3462519 0.87 CENPE (0.85) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL13161478 0.87 CENPE (0.85) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL360386 0.86 CENPE (0.68) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL360380 0.86 CENPE (0.85) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2106962 0.86 CENPE (0.85) CENPEKIFC1ALDH1A1KDM4EMAPT
Gsk-923295A SCHEMBL368558 0.84 CENPE (1.00) CENPEKIFC1ALDH1A1KDM4EMAPT
Gsk-923295A SCHEMBL2101077 0.84 CENPE (1.00) CENPEKIFC1ALDH1A1KDM4EMAPT
Gsk-923295A SCHEMBL1492164 0.84 CENPE (1.00) CENPEKIFC1ALDH1A1KDM4EMAPT
Gsk-923295A SCHEMBL29379288 0.84 CENPE (1.00) CENPEKIFC1ALDH1A1KDM4EMAPT

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-2582682-A1 METHODS OF TREATING LUNG DISEASE Cytokinetics, Inc. (US) 2013-04-24 — — EP claimed
WO-2012009097-A1 METHODS OF TREATING LUNG DISEASE CYTOKINETICS, INC. (US) 2012-01-19 — — WO claimed
EP-2582682-A1 METHODS OF TREATING LUNG DISEASE Cytokinetics, Inc. (US) 2013-04-24 — — EP disclosed
WO-2012009097-A1 METHODS OF TREATING LUNG DISEASE CYTOKINETICS, INC. (US) 2012-01-19 — — WO disclosed
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