SCHEMBL8535293

SCHEMBL8535293

Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(Cl)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.48
PTGES O14684 2/20 0.36
TYMS P04818 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
GRM2 Q14416 2/20 0.34
KIF11 P52732 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 1/20 0.34
CNR1 P21554 3/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL8532528 0.96 MAT2A (0.48) MAT2APTGESTYMSCCNT1CCNE1
SCHEMBL8538462 0.92 MAT2A (0.52) MAT2ATYMSCCNT1CCNE1CDK2
SCHEMBL8535303 0.86 MAT2A (0.55) MAT2AKIF11CNR1
SCHEMBL8533461 0.85 MAT2A (0.56) MAT2AKIF11ESR1
SCHEMBL20983234 0.82 MAT2A (0.58) MAT2ANPC1ESR1
SCHEMBL8532964 0.82 MAT2A (0.52) MAT2AKIF11NPC1ESR1
SCHEMBL20983232 0.82 MAT2A (0.55) MAT2AKIF11GPR84NPC1ESR1
SCHEMBL8515688 0.82 MAT2A (0.55) MAT2AKIF11ESR1
SCHEMBL8538786 0.78 MAT2A (0.45) MAT2APTGESGRM2KIF11CNR1
SCHEMBL29382545 0.78 MAT2A (0.42) MAT2A

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