SCHEMBL3709650

SCHEMBL3709650

Cc1[nH]c(C)c(-c2ccc(-c3ccc(CN(C)Cc4ccc(OC(F)(F)F)cc4)o3)cc2)c(=O)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 4/20 0.51
SCN10A Q9Y5Y9 1/20 0.38
SLC2A1 P11166 1/20 0.35
ABCB1 P08183 1/20 0.34
ACHE P22303 2/20 0.34
PRMT6 Q96LA8 1/20 0.33
PIM1 P11309 1/20 0.33
GRM2 Q14416 1/20 0.33
BCHE P06276 1/20 0.33
MCHR1 Q99705 1/20 0.33
ESR1 P03372 2/20 0.33
TSHR P16473 1/20 0.32
HTR6 P50406 1/20 0.32

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 SCHEMBL3398629 0.99 PRMT1 (0.52) PRMT1SCN10ASLC2A1ABCB1ACHE
Trifluoroacetic Acid SCHEMBL3398116 0.95 PRMT1 (0.47) PRMT1SCN10ASLC2A1ABCB1ACHE
SCHEMBL3713576 0.91 SLC2A1 (0.42) PRMT1SLC2A1PRMT6PIM1GRM2
Hydrochloric Acid SCHEMBL3398480 0.90 SLC2A1 (0.41) PRMT1SLC2A1PRMT6PIM1GRM2
SCHEMBL3712620 0.90 SLC2A1 (0.41) PRMT1SLC2A1PRMT6PIM1GRM2
Hydrochloric Acid SCHEMBL3394437 0.89 SLC2A1 (0.40) PRMT1SLC2A1PRMT6PIM1GRM2
Trifluoroacetic Acid SCHEMBL3398157 0.84 SERPINE1 (0.40) SLC2A1PRMT6GRM2ESR1
SCHEMBL3705658 0.83 SLC2A1 (0.35) PRMT1SCN10ASLC2A1PRMT6PIM1
SCHEMBL3707693 0.83 PRMT6 (0.40) SLC2A1ACHEPRMT6PIM1
SCHEMBL3391536 0.82 PRMT6 (0.39) PRMT1SLC2A1ACHEPRMT6GRM2

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-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO claimed