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SCHEMBL2105946

SCHEMBL2105946

CC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn(C)c(S(C)(=O)=O)n3)cc2)cc1C#N.CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2F)nc1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 2/20 0.49
▸ S1PR1 P21453 5/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ KIFC1 Q9BW19 1/20 0.32
▸ RORC P51449 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
SCHEMBL2105088 0.87 CENPE (0.51) CENPES1PR1S1PR3S1PR5DHODH
SCHEMBL13161764 0.84 CENPE (0.38) CENPEDHODHRORC
SCHEMBL3462436 0.84 CENPE (0.38) CENPEDHODHRORC
SCHEMBL14031375 0.84 CENPE (0.49) CENPES1PR1S1PR3S1PR5DHODH
SCHEMBL13161801 0.84 CENPE (0.49) CENPES1PR1S1PR3S1PR5DHODH
SCHEMBL3463326 0.84 CENPE (0.49) CENPES1PR1S1PR3S1PR5DHODH
SCHEMBL3224472 0.83 CENPE (0.43) CENPES1PR1KIFC1
SCHEMBL3461844 0.83 CENPE (0.43) CENPES1PR1KIFC1
SCHEMBL3461779 0.82 DHODH (0.42) CENPEDHODHKIFC1RORC
SCHEMBL13161942 0.82 DHODH (0.42) CENPEDHODHKIFC1RORC

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