SCHEMBL8515707

SCHEMBL8515707

O=C(O)C=C(Nc1ccc(F)c(F)c1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ABL1 P00519 5/20 0.42
EPHX2 P34913 4/20 0.42
FAAH O00519 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
NLRP3 Q96P20 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9607492 0.87 POLB (0.43) KMT2AABL1EPHX2TRPV1PPARA
SCHEMBL8515651 0.85 KMT2A (0.48) KMT2AEPHX2FAAHTRPV1NLRP3
SCHEMBL9607090 0.78 PDE2A (0.42) KMT2AABL1EPHX2PPARANPC1
SCHEMBL8537891 0.77 EPHX2 (0.51) KMT2AABL1EPHX2NPC1RAB9A
SCHEMBL9607414 0.74 TRPV1 (0.47) KMT2AABL1EPHX2TRPV1PPARA
SCHEMBL9607506 0.74 EPHX2 (0.45) EPHX2FAAHTRPV1PPARANPC1
SCHEMBL9607091 0.74 EPHX2 (0.45) EPHX2FAAHTRPV1PPARANPC1
SCHEMBL508864 0.68 MRGPRX4 (0.57) KMT2AEPHX2FAAHTRPV1NPC1
SCHEMBL10874020 0.66 KMT2A (0.62) KMT2AEPHX2FAAHTRPV1NPC1
SCHEMBL10874014 0.66 KMT2A (0.62) KMT2AEPHX2FAAHTRPV1NPC1

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 1 patent. 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 disclosed