SCHEMBL26294556

SCHEMBL26294556

COc1cc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.73
KMT2A Q03164 11/20 0.73
POLB P06746 10/20 0.73
MAPT P10636 10/20 0.73
ALDH1A1 P00352 10/20 0.73
MCL1 Q07820 8/20 0.73
L3MBTL1 Q9Y468 7/20 0.73
KDM4E B2RXH2 7/20 0.73
TDP1 Q9NUW8 6/20 0.73
BLM P54132 6/20 0.73
APEX1 P27695 4/20 0.73
GAA P10253 3/20 0.73
USP2 O75604 2/20 0.73
PTGES O14684 2/20 0.73
PKM P14618 6/20 0.61
CTDSP1 Q9GZU7 1/20 0.55
HPGD P15428 7/20 0.52
THRB P10828 4/20 0.52
RECQL P46063 4/20 0.52
ALOX12 P18054 3/20 0.52

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
SCHEMBL24277568 0.90 MEN1 (0.73) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26761824 0.87 MEN1 (0.68) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26296124 0.85 MEN1 (1.00) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26294624 0.84 MEN1 (0.86) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL20272154 0.83 MEN1 (0.66) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26295896 0.82 MCL1 (0.82) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL24277665 0.81 MCL1 (0.80) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL24277667 0.80 MCL1 (1.00) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26293060 0.79 MEN1 (0.48) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL24277194 0.79 MCL1 (0.80) MEN1KMT2APOLBMAPTALDH1A1

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