SCHEMBL24438027

SCHEMBL24438027

O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(Cl)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 17/20 0.82
STK39 Q9UEW8 3/20 0.76
MEN1 O00255 1/20 0.67
HSPD1 P10809 1/20 0.67
PIK3CA P42336 1/20 0.67
HTT P42858 1/20 0.67
BLM P54132 1/20 0.67
HSPE1 P61604 1/20 0.67
KMT2A Q03164 1/20 0.67
P2RX1 P51575 1/20 0.66

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
SCHEMBL29655162 1.00 PNLIP (0.82) PNLIPSTK39MEN1HSPD1PIK3CA
SCHEMBL24438299 0.93 PNLIP (0.80) PNLIPSTK39
SCHEMBL30692665 0.93 PNLIP (0.80) PNLIPSTK39
SCHEMBL23685884 0.91 PNLIP (0.83) PNLIPSTK39MEN1HSPD1PIK3CA
SCHEMBL23685789 0.89 PNLIP (1.00) PNLIPSTK39
SCHEMBL30692660 0.87 P2RX1 (0.82) PNLIPSTK39P2RX1
SCHEMBL24438051 0.87 P2RX1 (0.82) PNLIPSTK39P2RX1
SCHEMBL29655258 0.86 PNLIP (0.83) PNLIPSTK39MEN1HSPD1PIK3CA
SCHEMBL24438029 0.86 PNLIP (0.83) PNLIPSTK39MEN1HSPD1PIK3CA
SCHEMBL31485717 0.85 PNLIP (0.61) PNLIPSTK39

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