SCHEMBL360386

SCHEMBL360386

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.68
KIFC1 Q9BW19 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A2 O94788 1/20 0.37
ALDH1A3 P47895 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
S1PR1 P21453 6/20 0.36
PPARG P37231 2/20 0.36
P2RX3 P56373 2/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
WDR5 P61964 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
SCHEMBL3230398 0.95 CENPE (0.65) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3462432 0.93 CENPE (0.69) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2104043 0.93 CENPE (0.69) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3462556 0.93 CENPE (0.71) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3463366 0.93 CENPE (0.71) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3462266 0.91 CENPE (0.80) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2104176 0.91 CENPE (0.80) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2105616 0.91 CENPE (0.68) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3462793 0.91 CENPE (0.68) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3224260 0.90 CENPE (0.65) 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 2 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