SCHEMBL8538786

SCHEMBL8538786

Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2F)[nH]c2cc(Cl)ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.45
SLC2A1 P11166 1/20 0.38
CYP3A4 P08684 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 2/20 0.36
PTGES O14684 1/20 0.36
ALOX15 P16050 1/20 0.36
RHEB Q15382 1/20 0.35
SLC6A4 P31645 1/20 0.35
GRM2 Q14416 1/20 0.35
KIF11 P52732 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
SCHEMBL8535303 0.88 MAT2A (0.55) MAT2ACYP3A4TP53SMN1; SMN2CNR1
SCHEMBL8532926 0.86 MAT2A (0.51) MAT2ASLC2A1CYP3A4
SCHEMBL8533461 0.79 MAT2A (0.56) MAT2ASLC2A1KIF11
SCHEMBL9607503 0.79 MAT2A (0.47) MAT2A
SCHEMBL8537070 0.79 MAT2A (0.57) MAT2ASLC2A1CYP3A4TP53SMN1; SMN2
SCHEMBL8532528 0.78 MAT2A (0.48) MAT2ACNR1PTGESGRM2KIF11
SCHEMBL8535293 0.78 MAT2A (0.48) MAT2ACNR1PTGESGRM2KIF11
SCHEMBL9607468 0.78 MAT2A (0.44) MAT2ACNR1
SCHEMBL8538462 0.78 MAT2A (0.52) MAT2ACNR1KIF11
SCHEMBL8514142 0.77 ALOX5 (0.48) PTGESALOX15

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