SCHEMBL3713645

SCHEMBL3713645

Cc1c(Cl)c(=O)c(-c2[c]nc(-c3ccc(C(F)(F)F)cc3F)cc2)[c]n1COP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.33
PTGER1 P34995 1/20 0.31
ELANE P08246 1/20 0.31
PPARG P37231 1/20 0.31
CTSA P10619 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL3717421 0.88 HSD11B1 (0.34) HSD11B1CTSA
SCHEMBL3713643 0.69 SLC2A1 (0.39) MEN1ALDH1A1KMT2AAR
SCHEMBL18784923 0.61 ALOX5AP (0.44) AR
SCHEMBL21778738 0.57 FEN1 (0.50)
SCHEMBL14729682 0.57 RXRA (0.47) PTGER1
SCHEMBL206609 0.55 TSHR (0.68) ALDH1A1ELANE
SCHEMBL27831115 0.55 IDO1 (0.54) MEN1KMT2A
SCHEMBL12769594 0.54 ELANE (0.53) ALDH1A1ELANE
SCHEMBL9449212 0.54 IDO1 (0.49) KMT2APPARG
SCHEMBL24986392 0.54 ALDH1A1 (0.46) ALDH1A1KMT2AAR

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