SCHEMBL8536602

SCHEMBL8536602

Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(O)ccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.62
ACP1 P24666 1/20 0.36
KIF11 P52732 3/20 0.36
DGAT1 O75907 3/20 0.36
CYP1A2 P05177 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
SCN10A Q9Y5Y9 5/20 0.35
PPARD Q03181 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TRPA1 O75762 1/20 0.35
KCNH2 Q12809 2/20 0.34
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL8533063 0.92 MAT2A (0.55) MAT2AACP1KIF11DGAT1CYP1A2
SCHEMBL8536444 0.90 MAT2A (0.64) MAT2AACP1KIF11DGAT1SCN10A
SCHEMBL8530848 0.89 MAT2A (0.77) MAT2AACP1KIF11DGAT1CYP1A2
SCHEMBL8533188 0.88 MAT2A (0.62) MAT2AACP1KIF11DGAT1SCN10A
SCHEMBL8537912 0.87 MAT2A (0.59) MAT2AACP1KIF11DGAT1SCN10A
SCHEMBL8535958 0.86 MAT2A (0.59) MAT2AACP1KIF11DGAT1SCN10A
SCHEMBL8535564 0.83 MAT2A (0.66) MAT2AACP1CYP1A2TRPV1KDM4E
SCHEMBL20983232 0.83 MAT2A (0.55) MAT2AKIF11TRPV1KDM4EALDH1A1
SCHEMBL8537111 0.82 MAT2A (0.55) MAT2AACP1TRPV1KDM4E
SCHEMBL8533028 0.78 MAT2A (0.50) MAT2ADGAT1SCN10ATRPA1KCNH2

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