SCHEMBL25916805

SCHEMBL25916805

COC(=O)C(C)c1sc(N2C(=O)c3ccccc3C2=O)nc1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
AR P10275 4/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SCN2A Q99250 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL25916855 0.83 POLB (0.40) POLBARPLA2G1BATG4BALDH1A1
SCHEMBL25916967 0.74 POLB (0.41) POLBARALDH1A1KDM4EHPGD
SCHEMBL25916841 0.73 POLB (0.40) POLBARALDH1A1KDM4EHPGD
SCHEMBL25916870 0.71 POLB (0.40) POLBARALDH1A1KDM4EHPGD
SCHEMBL11321180 0.70 PLA2G1B (0.56) PLA2G1BATG4BALDH1A1KDM4EHPGD
SCHEMBL11589418 0.68 ALDH1A1 (0.43) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL25916551 0.68 ALDH1A1 (0.44) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL25917061 0.66 AR (0.41) ARALDH1A1KDM4EHPGDSCN2A
SCHEMBL11018031 0.66 AR (0.40) ARALDH1A1KDM4EHPGDSCN2A
SCHEMBL25916968 0.66 AR (0.41) ARALDH1A1KDM4EHPGDSCN2A

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-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed