SCHEMBL9607436

SCHEMBL9607436

Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)nc2ccccc2c1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.40
AR P10275 1/20 0.37
PTGFR P43088 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
TRPM8 Q7Z2W7 8/20 0.36
SCN10A Q9Y5Y9 3/20 0.35
CHRM5 P08912 1/20 0.35
SCN2A Q99250 1/20 0.35
PTGER4 P35408 1/20 0.34
PPARD Q03181 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
SCHEMBL8515625 0.91 ACP1 (0.45) ACP1PTGFRSCN10ACHRM5SCN2A
SCHEMBL8515384 0.86 ACP1 (0.44) ACP1PTGFRSCN10ASCN2A
SCHEMBL8514758 0.75 DHODH (0.44) ACP1PTGFRSCN10A
SCHEMBL8511573 0.73 KDM4E (0.42) ACP1CTNNB1SCN10ASCN2APPARD
SCHEMBL13049103 0.70 SCN10A (0.37) ARSCN10ACHRM5SCN2A
SCHEMBL28253958 0.69 PDE10A (0.48) ACP1TRPM8SCN10ASCN2A
SCHEMBL22314946 0.69 DGAT1 (0.50) ACP1SCN10ACHRM5
SCHEMBL8514255 0.69 PDE10A (0.44) ACP1PTGFRCTNNB1TCF7L2TRPM8
SCHEMBL8514251 0.69 PDE10A (0.44) ACP1PTGFRCTNNB1TCF7L2TRPM8
SCHEMBL8515893 0.68 CYP3A4 (0.44) PTGFRTRPM8SCN10A

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