SCHEMBL27366535

SCHEMBL27366535

CC(=O)OC[C@H]1OC(n2cnc3c(Cl)nc(C)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.85
LMNA P02545 4/20 0.85
MAPT P10636 3/20 0.85
TP53 P04637 2/20 0.85
TDP1 Q9NUW8 1/20 0.85
ACHE P22303 5/20 0.56
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
HIF1A Q16665 1/20 0.47
PRKCA P17252 1/20 0.46
AKT1 P31749 1/20 0.46
PTK2 Q05397 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL8819179 1.00 ALDH1A1 (0.85) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL27366572 0.93 LMNA (0.98) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL18763541 0.93 LMNA (0.98) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL27366615 0.93 LMNA (0.98) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL18741040 0.93 LMNA (0.98) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL24371902 0.92 LMNA (1.00) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL3770300 0.92 LMNA (1.00) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL22826797 0.92 LMNA (1.00) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL21798516 0.92 LMNA (1.00) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL6884789 0.92 LMNA (1.00) ALDH1A1LMNAMAPTTP53TDP1

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed