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SCHEMBL2104115

SCHEMBL2104115

CC(C)Oc1ccc(C(=O)NC(CCC(N)=O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)nc1C(C)(C)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.61
▸ KIFC1 Q9BW19 1/20 0.34
▸ S1PR1 P21453 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PPARG P37231 1/20 0.30

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
SCHEMBL2105261 0.89 CENPE (0.74) CENPEKIFC1S1PR1KDM4EALDH1A1
SCHEMBL3461906 0.89 CENPE (0.74) CENPEKIFC1S1PR1KDM4EALDH1A1
SCHEMBL3467520 0.88 CENPE (0.66) CENPEKIFC1S1PR1KDM4EALDH1A1
SCHEMBL4428105 0.88 CENPE (0.77) CENPEKIFC1S1PR1KDM4EALDH1A1
SCHEMBL3213358 0.88 CENPE (0.77) CENPEKIFC1S1PR1KDM4EALDH1A1
SCHEMBL2103186 0.88 CENPE (0.77) CENPEKIFC1S1PR1KDM4EALDH1A1
SCHEMBL360385 0.88 CENPE (0.77) CENPEKIFC1S1PR1KDM4EALDH1A1
SCHEMBL2102791 0.86 CENPE (0.52) CENPEKIFC1S1PR1
SCHEMBL2102790 0.86 CENPE (0.52) CENPEKIFC1S1PR1
SCHEMBL13626684 0.84 CENPE (0.73) CENPEKIFC1S1PR1KDM4EALDH1A1

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-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 — — US disclosed