SCHEMBL26296124

SCHEMBL26296124

COc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 1.00
KMT2A Q03164 13/20 1.00
ALDH1A1 P00352 11/20 1.00
MAPT P10636 10/20 1.00
POLB P06746 10/20 1.00
MCL1 Q07820 8/20 1.00
KDM4E B2RXH2 8/20 1.00
L3MBTL1 Q9Y468 7/20 1.00
TDP1 Q9NUW8 6/20 1.00
BLM P54132 6/20 1.00
APEX1 P27695 4/20 1.00
PTGES O14684 3/20 1.00
GAA P10253 3/20 1.00
USP2 O75604 2/20 1.00
HPGD P15428 6/20 0.66
PKM P14618 6/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 2/20 0.62
CTDSP1 Q9GZU7 1/20 0.59
THRB P10828 4/20 0.56

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
SCHEMBL26295896 0.86 MCL1 (0.82) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL24277667 0.86 MCL1 (1.00) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL24277194 0.85 MCL1 (0.80) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL24277665 0.85 MCL1 (0.80) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL26294556 0.85 MEN1 (0.73) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL24277568 0.84 MEN1 (0.73) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL24277912 0.83 MEN1 (0.74) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL26293205 0.83 MEN1 (0.69) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL24277916 0.82 MCL1 (0.74) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL26761824 0.81 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTPOLB

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