SCHEMBL8530791

SCHEMBL8530791

O=c1c(CO)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.43
KIF11 P52732 1/20 0.39
DGAT1 O75907 8/20 0.38
CHRM5 P08912 1/20 0.38
PDE2A O00408 1/20 0.37
DHODH Q02127 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE10A Q9Y233 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
SSTR3 P32745 1/20 0.36
KCNH2 Q12809 1/20 0.36
ACP1 P24666 1/20 0.35
MCL1 Q07820 2/20 0.35
CYP1A2 P05177 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
SCHEMBL8537300 0.87 KIF11 (0.46) MAT2AKIF11PDE2ADHODHPDE4B
SCHEMBL8537912 0.84 MAT2A (0.59) MAT2AKIF11DGAT1CHRM5PDE2A
SCHEMBL8514278 0.83 KIF11 (0.42) MAT2AKIF11PDE2ADHODHPDE4B
SCHEMBL9607469 0.82 MAT2A (0.44) MAT2A
SCHEMBL8536602 0.74 MAT2A (0.62) MAT2AKIF11DGAT1SCN10AKCNH2
SCHEMBL8533063 0.74 MAT2A (0.55) MAT2AKIF11DGAT1ACP1CYP1A2
SCHEMBL8536444 0.73 MAT2A (0.64) MAT2AKIF11DGAT1SCN10AKCNH2
SCHEMBL8535564 0.73 MAT2A (0.66) MAT2ADHODHACP1CYP1A2
SCHEMBL8530848 0.73 MAT2A (0.77) MAT2AKIF11DGAT1ACP1CYP1A2
SCHEMBL8537649 0.72 MAT2A (0.52) MAT2AKIF11PDE2ADHODHPDE4B

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-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO claimed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed