SCHEMBL8530848

SCHEMBL8530848

COc1ccc2c(=O)c(C)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)[nH]c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.77
KDM4E B2RXH2 3/20 0.39
KIF11 P52732 1/20 0.39
PDE5A O76074 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
MAPK14 Q16539 3/20 0.39
TNKS O95271 1/20 0.39
DYRK1A Q13627 2/20 0.38
TRPA1 O75762 1/20 0.37
CBFB Q13951 1/20 0.37
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ACP1 P24666 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
SCHEMBL8535564 0.92 MAT2A (0.66) MAT2AKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL8536444 0.91 MAT2A (0.64) MAT2AKDM4EKIF11MAPK13MAPK12
SCHEMBL8533188 0.89 MAT2A (0.62) MAT2AKIF11TRPA1ACP1LMNA
SCHEMBL8536602 0.89 MAT2A (0.62) MAT2AKDM4EKIF11CYP1A2TRPA1
SCHEMBL18987275 0.88 MAT2A (0.69) MAT2AKDM4EKIF11PDE5ACYP1A1
SCHEMBL8537912 0.88 MAT2A (0.59) MAT2AKDM4EKIF11ACP1KMT2A
SCHEMBL8535958 0.87 MAT2A (0.59) MAT2AKDM4EKIF11TRPA1ACP1
SCHEMBL8537832 0.85 MAT2A (0.69) MAT2AKDM4EKIF11MAPK13MAPK12
SCHEMBL8537111 0.83 MAT2A (0.55) MAT2AKDM4EACP1MEN1KMT2A
SCHEMBL8533063 0.83 MAT2A (0.55) MAT2AKDM4EKIF11CYP1A2ALOX5

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 3 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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed