SCHEMBL3713643

SCHEMBL3713643

Cc1[nH]c(COP(=O)(OCc2ccccc2)OCc2ccccc2)c(-c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2)c(=O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
DGAT1 O75907 1/20 0.36
ALOX5AP P20292 14/20 0.35
FEN1 P39748 14/20 0.35
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ARF6 P62330 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL3717418 0.88 DGAT1 (0.39) SLC2A1DGAT1ALOX5APFEN1
SCHEMBL13049075 0.82 FEN1 (0.40) DGAT1ALOX5APFEN1
SCHEMBL13049103 0.82 SCN10A (0.37) SLC2A1DGAT1AR
SCHEMBL4485644 0.80 FEN1 (0.44) SLC2A1DGAT1ALOX5APFEN1
SCHEMBL3718803 0.73 AR (0.39) SLC2A1AR
SCHEMBL4486314 0.73 SLC2A1 (0.43) SLC2A1DGAT1ALOX5APFEN1ALDH1A1
SCHEMBL4491220 0.72 SLC2A1 (0.43) SLC2A1DGAT1ALOX5APFEN1ARF6
SCHEMBL4472769 0.70 KDM1A (0.45) SLC2A1ALOX5APFEN1MEN1KMT2A
SCHEMBL3713645 0.69 MEN1 (0.33) MEN1ALDH1A1KMT2AAR
SCHEMBL3723682 0.69 DGAT1 (0.37) DGAT1

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-2010142741-A1 PHENYLPYRIDYLPYRIDONES FOR USE AS ANTIMALARIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142741-A1 PHENYLPYRIDYLPYRIDONES FOR USE AS ANTIMALARIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed