SCHEMBL8514932

SCHEMBL8514932

Cc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)nc2ccccc2c1OC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.49
SCN9A Q15858 3/20 0.47
MAPT P10636 1/20 0.44
ACP1 P24666 1/20 0.44
PTGFR P43088 2/20 0.44
TSHR P16473 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL8514929 0.94 DHODH (0.49) DHODHSCN9AMAPTACP1PTGFR
SCHEMBL8514255 0.91 PDE10A (0.44) DHODHSCN9AMAPTACP1PTGFR
SCHEMBL17593849 0.84 PTGFR (0.56) DHODHMAPTPTGFRTSHRPDE10A
SCHEMBL8514251 0.84 PDE10A (0.44) DHODHSCN9AMAPTACP1PTGFR
SCHEMBL18075813 0.82 PDE10A (0.61) DHODHMAPTTSHRPDE10A
SCHEMBL8512120 0.81 SCN9A (0.45) DHODHSCN9AMAPTACP1PTGFR
SCHEMBL8514758 0.80 DHODH (0.44) DHODHSCN9AMAPTACP1PTGFR
SCHEMBL8730759 0.80 DHODH (0.72) DHODHPDE10A
SCHEMBL8795029 0.77 SCN9A (0.57) DHODHSCN9AMAPT
SCHEMBL8512116 0.76 PTGDR2 (0.37) PTGFRPDE10A

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