SCHEMBL17778487

SCHEMBL17778487

CC(C)(OS)OCCCCOc1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ncc3N3CCC[C@H]2C3)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.36
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ IRAK1 P51617 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TRPV4 Q9HBA0 3/20 0.33
▸ CNR2 P34972 3/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ KIF18A Q8NI77 2/20 0.32
▸ TACR2 P21452 1/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CACNA1C Q13936 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
SCHEMBL17778350 0.94 KIF11 (0.36) KIF11KCNJ6KCNJ5KCNJ3IRAK1
SCHEMBL17778332 0.93 KIF11 (0.37) KIF11KCNJ6KCNJ5KCNJ3IRAK1
SCHEMBL17778333 0.90 KIF11 (0.37) KIF11KCNJ6KCNJ5KCNJ3IRAK1
SCHEMBL17778376 0.90 KCNJ6 (0.34) KIF11KCNJ6KCNJ5KCNJ3IRAK1
SCHEMBL17778476 0.88 SCN10A (0.36) KIF11KCNJ6KCNJ5KCNJ3IRAK1
SCHEMBL17778414 0.88 SCN10A (0.36) KIF11KCNJ6KCNJ5KCNJ3IRAK1
SCHEMBL17769729 0.85 KIF11 (0.36) KIF11KCNJ6KCNJ5KCNJ3IRAK1
SCHEMBL17769566 0.85 KIF11 (0.36) KIF11KCNJ6KCNJ5KCNJ3IRAK1
SCHEMBL17769731 0.85 KIF11 (0.36) KIF11KCNJ6KCNJ5KCNJ3IRAK1
SCHEMBL17778473 0.83 TSHR (0.38) KIF11KCNJ6KCNJ5KCNJ3IRAK1

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
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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