SCHEMBL3713987

SCHEMBL3713987

OB(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
SCN5A Q14524 8/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
DHODH Q02127 1/20 0.39
KCNH2 Q12809 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
SCN1A P35498 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
ACP1 P24666 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL6610143 0.80 CA1 (0.48) SCN5AMAPTSCN1ASCN2ANISCH
SCHEMBL4474937 0.79 LMNA (0.43) KDM4EMAPTRAB9A
SCHEMBL147828 0.78 CA2 (0.52) KDM4EMAPTABL1
SCHEMBL30518373 0.77 NPC1 (0.53) NPC1RAB9AABL1
SCHEMBL2560337 0.77 NPC1 (0.53) NPC1RAB9AABL1
SCHEMBL3724578 0.76 SCN5A (0.44) CYP1A2SCN5AKDM4ENPC1ALDH1A1
SCHEMBL13471699 0.76 CCR1 (0.48) CYP1A2SCN5AKDM4ENPC1ALDH1A1
SCHEMBL1416502 0.76 KIF11 (0.51) CYP1A2SCN5AKDM4ENPC1ALDH1A1
SCHEMBL1550145 0.76 CHRM5 (0.46) CYP1A2SCN5AKDM4ENPC1ALDH1A1
SCHEMBL2559299 0.75 KDM4E (0.45) CYP1A2SCN5AKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010142741-A1 PHENYLPYRIDYLPYRIDONES FOR USE AS ANTIMALARIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142741-A1 PHENYLPYRIDYLPYRIDONES FOR USE AS ANTIMALARIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed