SCHEMBL3705545

SCHEMBL3705545

Cc1[nH]c(C)c(-c2cccc(CN(C)Cc3ccc(OC(F)(F)F)cc3)c2)c(=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ACHE P22303 5/20 0.36
SLC6A4 P31645 1/20 0.35
NR3C1 P04150 1/20 0.35
NTRK1 P04629 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAOB P27338 1/20 0.35
SERPINE1 P05121 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL3394460 0.99 ACHE (0.37) PRMT6TMEM97SIGMAR1ACHESLC6A4
SCHEMBL3707693 0.95 PRMT6 (0.40) PRMT6TMEM97SIGMAR1ACHEPTGDR2
Hydrochloric Acid SCHEMBL3395841 0.94 PRMT6 (0.39) PRMT6TMEM97SIGMAR1ACHEPTGDR2
SCHEMBL3713576 0.90 SLC2A1 (0.42) PRMT6TMEM97SIGMAR1SLC6A4PTGDR2
Hydrochloric Acid SCHEMBL3398480 0.89 SLC2A1 (0.41) PRMT6TMEM97SIGMAR1SLC6A4PTGDR2
SCHEMBL3712620 0.89 SLC2A1 (0.41) PRMT6SLC6A4PTGDR2SERPINE1PIM1
Hydrochloric Acid SCHEMBL3394437 0.88 SLC2A1 (0.40) PRMT6SLC6A4PTGDR2SERPINE1PIM1
Trifluoroacetic Acid SCHEMBL3398157 0.83 SERPINE1 (0.40) PRMT6PTGDR2SERPINE1
SCHEMBL3705658 0.82 SLC2A1 (0.35) PRMT6PTGDR2PIM1PIM2
SCHEMBL3708151 0.82 PIM1 (0.39) PRMT6ACHEPTGDR2PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO claimed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed