SCHEMBL17778389

SCHEMBL17778389

O=C(Nc1ccnc(OCC[C@@H](O)CO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KMO O15229 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPC P11150 1/20 0.33
▸ KIF18A Q8NI77 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL16754528 0.94 CA2 (0.36) CA2CA9KMOKDM1AMAOA
SCHEMBL16754530 0.94 CA2 (0.36) CA2CA9KMOKDM1AMAOA
SCHEMBL16754531 0.94 CA2 (0.36) CA2CA9KMOKDM1AMAOA
SCHEMBL19689750 0.93 CA2 (0.38) CA2CA9KMOKDM1AMAOA
SCHEMBL19706916 0.92 CA2 (0.37) CA2CA9KMOKDM1AMAOA
SCHEMBL19689682 0.92 CA2 (0.37) CA2CA9KMOKDM1AMAOA
SCHEMBL17778435 0.90 KDM4E (0.33) CA2CA9LIPGLPLLIPC
SCHEMBL19699685 0.90 CA2 (0.37) CA2CA9KMOKDM1AMAOA
SCHEMBL17768179 0.89 CA2 (0.36) CA2CA9KMOKDM1AMAOA
SCHEMBL19706656 0.89 CA2 (0.36) CA2CA9KMOKDM1AMAOA

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-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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