SCHEMBL17778333

SCHEMBL17778333

O=C(Nc1cccc(OCCCCO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.37
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CPT2 P23786 1/20 0.34
▸ CPT1A P50416 1/20 0.34
▸ CPT1B Q92523 1/20 0.34
▸ IDH2 P48735 1/20 0.34

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
SCHEMBL17778332 0.92 KIF11 (0.37) KIF11KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17778350 0.91 KIF11 (0.36) KIF11KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17778487 0.90 KIF11 (0.36) KIF11KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17769566 0.89 KIF11 (0.36) KIF11KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17769729 0.89 KIF11 (0.36) KIF11KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17769731 0.89 KIF11 (0.36) KIF11KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17778474 0.89 KDM4E (0.38) KIF11KDM4EUSP2LMNAALOX15
SCHEMBL17778477 0.89 TRPV1 (0.35) KIF11KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL20550338 0.85 KIF18A (0.35) KIF11KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL20550336 0.85 KIF18A (0.35) KIF11KCNJ6KCNJ5KCNJ3KDM4E

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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