SCHEMBL8535958

SCHEMBL8535958

Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)c(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.59
CCNT1 O60563 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ACP1 P24666 1/20 0.38
P2RX7 Q99572 1/20 0.37
TRPA1 O75762 1/20 0.37
SCN10A Q9Y5Y9 7/20 0.35
KCNH2 Q12809 3/20 0.35
SCN5A Q14524 2/20 0.35
SCN1A P35498 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
DGAT1 O75907 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
SCHEMBL8536444 0.90 MAT2A (0.64) MAT2AALOX5APFEN1ACP1TRPA1
SCHEMBL8535564 0.87 MAT2A (0.66) MAT2AACP1CTSVCTSLKDM4E
SCHEMBL8530848 0.87 MAT2A (0.77) MAT2AACP1TRPA1DGAT1KIF11
SCHEMBL8537912 0.86 MAT2A (0.59) MAT2AACP1SCN10AKCNH2SCN5A
SCHEMBL8536602 0.86 MAT2A (0.62) MAT2AACP1TRPA1SCN10AKCNH2
SCHEMBL8533188 0.86 MAT2A (0.62) MAT2AACP1TRPA1SCN10AKCNH2
SCHEMBL8533063 0.86 MAT2A (0.55) MAT2AACP1DGAT1KIF11KDM4E
SCHEMBL8537111 0.86 MAT2A (0.55) MAT2AACP1KDM4ECRHBPCRHR2
SCHEMBL8533028 0.84 MAT2A (0.50) MAT2AALOX5APFEN1P2RX7TRPA1
SCHEMBL8538462 0.82 MAT2A (0.52) MAT2ACCNT1CCNE1CDK2CDK9

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