SCHEMBL26293182

SCHEMBL26293182

COc1cc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc(OC)c1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.82
KMT2A Q03164 11/20 0.82
PKM P14618 6/20 0.82
POLB P06746 11/20 0.73
TDP1 Q9NUW8 6/20 0.73
ALDH1A1 P00352 8/20 0.70
MAPT P10636 8/20 0.70
MCL1 Q07820 8/20 0.70
L3MBTL1 Q9Y468 7/20 0.70
KDM4E B2RXH2 7/20 0.70
BLM P54132 6/20 0.70
HPGD P15428 5/20 0.70
THRB P10828 4/20 0.70
RECQL P46063 4/20 0.70
ALOX12 P18054 3/20 0.70
NR4A1 P22736 3/20 0.70
BID P55957 1/20 0.70
BCL2A1 Q16548 1/20 0.70
LMNA P02545 1/20 0.69
CTDSP1 Q9GZU7 1/20 0.67

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
SCHEMBL26293211 0.93 MEN1 (0.75) MEN1KMT2APKMPOLBTDP1
SCHEMBL26294624 0.91 MEN1 (0.86) MEN1KMT2APKMPOLBTDP1
SCHEMBL26293180 0.87 MEN1 (0.73) MEN1KMT2APKMPOLBTDP1
SCHEMBL26294609 0.87 MEN1 (0.73) MEN1KMT2APKMPOLBTDP1
SCHEMBL24277568 0.85 MEN1 (0.73) MEN1KMT2APKMPOLBTDP1
SCHEMBL13856422 0.82 MEN1 (1.00) MEN1KMT2APKMPOLBTDP1
SCHEMBL13856578 0.82 MEN1 (1.00) MEN1KMT2APKMPOLBTDP1
SCHEMBL26293058 0.80 MEN1 (0.78) MEN1KMT2APKMPOLBTDP1
SCHEMBL26761824 0.80 MEN1 (0.68) MEN1KMT2APKMPOLBTDP1
SCHEMBL15814086 0.79 MEN1 (0.84) MEN1KMT2APKMPOLBTDP1

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-2023168240-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-07 WO disclosed