SCHEMBL8514758

SCHEMBL8514758

Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)nc2ccccc2c1OP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.44
ACP1 P24666 1/20 0.44
PTGFR P43088 2/20 0.44
PDE10A Q9Y233 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
IGF1R P08069 1/20 0.39
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL8515384 0.89 ACP1 (0.44) DHODHACP1PTGFRMAPTIGF1R
SCHEMBL8515625 0.81 ACP1 (0.45) DHODHACP1PTGFRSCN10ATRPV1
SCHEMBL8514929 0.80 DHODH (0.49) DHODHACP1PTGFRPDE10ATSHR
SCHEMBL8514932 0.80 DHODH (0.49) DHODHACP1PTGFRPDE10ATSHR
SCHEMBL8515898 0.80 CYP3A4 (0.43) DHODHPTGFRSCN10A
SCHEMBL8514255 0.78 PDE10A (0.44) DHODHACP1PTGFRPDE10ATSHR
SCHEMBL8514251 0.78 PDE10A (0.44) DHODHACP1PTGFRPDE10ATSHR
SCHEMBL8512120 0.75 SCN9A (0.45) DHODHACP1PTGFRPDE10AMAPT
SCHEMBL23204079 0.72 ALDH1A3 (0.51) ACP1MAPT
SCHEMBL6309767 0.71 DHODH (0.70) DHODHPTGFRPDE10ATSHR

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