SCHEMBL12654532

SCHEMBL12654532

O=C(Nc1cccc(OCC(O)CO)c1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ CDK8 P49336 2/20 0.36
▸ FYN P06241 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.35
▸ TRPV1 Q8NER1 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ S1PR2 O95136 1/20 0.35

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
SCHEMBL17655364 0.93 LMNA (0.39) PRMT5WDR77CA2CA9EPHX2
SCHEMBL12653833 0.90 CA2 (0.38) PRMT5WDR77CA2CA9TRPV3
SCHEMBL17655393 0.88 GPR52 (0.37) PRMT5WDR77CA2CA9TRPV3
SCHEMBL12654418 0.86 CA2 (0.37) PRMT5WDR77CA2CA9TRPV3
SCHEMBL12654540 0.86 TRPV1 (0.34) PRMT5WDR77CA2CA9TRPV3
SCHEMBL12654420 0.85 RAF1 (0.35) PRMT5WDR77CA2CA9TRPV3
SCHEMBL17655422 0.83 KIF18A (0.36) PRMT5WDR77CA2CA9TRPV3
SCHEMBL12653796 0.82 CA2 (0.37) PRMT5WDR77CA2CA9TRPV3
SCHEMBL17655442 0.81 GPR52 (0.36) PRMT5WDR77CA2CA9TRPV3
SCHEMBL1816922 0.81 CA2 (0.44) CA2CA9TRPV1LMNAMAPK1

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
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