SCHEMBL8537832

SCHEMBL8537832

COc1ccc2c(=O)c(C)c(-c3cncc(-c4ccc(OC(F)(F)F)cc4)c3)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.69
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPK14 Q16539 3/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
KIF11 P52732 1/20 0.39
PIP4K2A P48426 1/20 0.39
DYRK1A Q13627 1/20 0.39
CYP19A1 P11511 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
IMPDH2 P12268 1/20 0.38
ALOX5 P09917 1/20 0.38
PRMT5 O14744 1/20 0.38

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
SCHEMBL8530848 0.85 MAT2A (0.77) MAT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18987275 0.83 MAT2A (0.69) MAT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8538579 0.79 MAT2A (0.61) MAT2ACYP19A1
SCHEMBL30692180 0.77 MAT2A (0.58) MAT2AKDM4EALDH1A1HPGDMAPK13
SCHEMBL26924860 0.77 MAT2A (0.58) MAT2AKDM4EALDH1A1HPGDMAPK13
SCHEMBL8535564 0.77 MAT2A (0.66) MAT2AKDM4EALDH1A1HPGDALOX5
SCHEMBL8515371 0.77 MAT2A (0.56) MAT2AKDM4EALDH1A1HPGDKIF11
SCHEMBL8536444 0.76 MAT2A (0.64) MAT2AKDM4EALDH1A1MAPK13MAPK12
SCHEMBL20983234 0.75 MAT2A (0.58) MAT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8537070 0.74 MAT2A (0.57) MAT2AKDM4EHSD17B10KIF11CYP19A1

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