SCHEMBL12654665

SCHEMBL12654665

O=C(Nc1ccnc(OCC(O)CO)n1)N1CCc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 4/20 0.39
▸ WDR77 Q9BQA1 4/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KMO O15229 1/20 0.37
▸ FGFR4 P22455 4/20 0.37
▸ HTR2C P28335 7/20 0.36
▸ HTR2A P28223 6/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ HTR2B P41595 4/20 0.35
▸ GPR52 Q9Y2T5 2/20 0.35
▸ TRPV3 Q8NET8 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
SCHEMBL17655335 0.96 FGFR4 (0.43) PRMT5WDR77CA2CA9KMO
SCHEMBL12653775 0.91 FGFR4 (0.39) FGFR4
SCHEMBL12654662 0.90 PRMT5 (0.43) PRMT5WDR77CA2CA9KMO
SCHEMBL12654418 0.88 CA2 (0.37) PRMT5WDR77CA2CA9KMO
SCHEMBL17655423 0.88 CA2 (0.37) PRMT5WDR77CA2CA9KMO
SCHEMBL18415688 0.88 FGFR4 (0.43) PRMT5WDR77CA2CA9KMO
SCHEMBL18415689 0.88 FGFR4 (0.43) PRMT5WDR77CA2CA9KMO
SCHEMBL17655352 0.88 FGFR4 (0.43) PRMT5WDR77CA2CA9KMO
SCHEMBL12654444 0.87 PRMT5 (0.39) PRMT5WDR77CA2CA9KMO
SCHEMBL19706106 0.85 CA2 (0.36) CA2CA9KMOFGFR4GPR52

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
Send feedback