SCHEMBL3705658

SCHEMBL3705658

Cc1[nH]c(C)c(-c2ccc(-c3ccc(CN(C)Cc4ccc(OC(F)(F)F)cc4)s3)cc2)c(=O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.35
ABL1 P00519 2/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
GRM2 Q14416 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.33
PTGES O14684 1/20 0.33
KIT P10721 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
PRMT1 Q99873 1/20 0.32
KCNH2 Q12809 2/20 0.32
SCN10A Q9Y5Y9 2/20 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 SCHEMBL3397627 0.99 SLC2A1 (0.34) SLC2A1ABL1ERCC5FEN1PIM1
Trifluoroacetic Acid SCHEMBL3394740 0.95 HDAC3 (0.38) SLC2A1ABL1ERCC5FEN1HDAC3
SCHEMBL3713576 0.90 SLC2A1 (0.42) SLC2A1PIM1PIM2PRMT6GRM2
SCHEMBL3712620 0.89 SLC2A1 (0.41) SLC2A1PIM1PIM2PRMT6GRM2
Hydrochloric Acid SCHEMBL3398480 0.89 SLC2A1 (0.41) SLC2A1PIM1PIM2PRMT6GRM2
Hydrochloric Acid SCHEMBL3394437 0.88 SLC2A1 (0.40) SLC2A1PIM1PIM2PRMT6GRM2
SCHEMBL3707693 0.84 PRMT6 (0.40) SLC2A1ABL1PIM1PIM2PRMT6
SCHEMBL3708151 0.83 PIM1 (0.39) SLC2A1PIM1PIM2PRMT6GRM2
Trifluoroacetic Acid SCHEMBL3398157 0.83 SERPINE1 (0.40) SLC2A1PRMT6GRM2PTGDR2LSS
Hydrochloric Acid SCHEMBL3395841 0.83 PRMT6 (0.39) SLC2A1ABL1PIM1PIM2PRMT6

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