SCHEMBL24438029

SCHEMBL24438029

COc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 16/20 0.83
STK39 Q9UEW8 2/20 0.71
PARG Q86W56 1/20 0.67
ALDH1A1 P00352 1/20 0.65
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HSPD1 P10809 1/20 0.62
PIK3CA P42336 1/20 0.62
HTT P42858 1/20 0.62
BLM P54132 1/20 0.62
HSPE1 P61604 1/20 0.62

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
SCHEMBL29655258 1.00 PNLIP (0.83) PNLIPSTK39PARGALDH1A1MEN1
SCHEMBL24438298 0.93 PNLIP (0.79) PNLIPSTK39PARGALDH1A1MEN1
SCHEMBL30692674 0.93 PNLIP (0.79) PNLIPSTK39PARGALDH1A1MEN1
SCHEMBL30692658 0.90 ALDH1A1 (0.76) PNLIPALDH1A1MEN1KMT2AHTT
SCHEMBL24438042 0.90 ALDH1A1 (0.76) PNLIPALDH1A1MEN1KMT2AHTT
SCHEMBL24438027 0.86 PNLIP (0.82) PNLIPSTK39MEN1KMT2AHSPD1
SCHEMBL29655162 0.86 PNLIP (0.82) PNLIPSTK39MEN1KMT2AHSPD1
SCHEMBL24438368 0.84 ALDH1A1 (0.80) PNLIPALDH1A1MEN1KMT2AHTT
SCHEMBL30692670 0.84 ALDH1A1 (0.80) PNLIPALDH1A1MEN1KMT2AHTT
SCHEMBL24438157 0.84 ALDH1A1 (0.70) PNLIPSTK39ALDH1A1MEN1KMT2A

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-2022103572-A1 COMPOUNDS AND METHODS OF INHIBITING BACTERIAL CHAPERONIN SYSTEMS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-05-19 WO disclosed