SCHEMBL24277664

SCHEMBL24277664

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 0.53
▸ KMT2A Q03164 14/20 0.53
▸ PKM P14618 6/20 0.53
▸ POLB P06746 12/20 0.51
▸ ALDH1A1 P00352 11/20 0.51
▸ MAPT P10636 11/20 0.51
▸ MCL1 Q07820 10/20 0.51
▸ KDM4E B2RXH2 10/20 0.51
▸ BLM P54132 9/20 0.51
▸ L3MBTL1 Q9Y468 9/20 0.51
▸ TDP1 Q9NUW8 7/20 0.51
▸ GAA P10253 6/20 0.51
▸ APEX1 P27695 4/20 0.51
▸ USP2 O75604 3/20 0.51
▸ PTGES O14684 1/20 0.51
▸ MGAM O43451 2/20 0.50
▸ SI P14410 2/20 0.50
▸ MGAM2 Q2M2H8 2/20 0.50
▸ HPGD P15428 8/20 0.47
▸ RECQL P46063 7/20 0.47

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 0.80 MEN1 (0.73) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL24277923 0.78 SMPD3 (0.45) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL26293182 0.77 MEN1 (0.82) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL26761824 0.75 MEN1 (0.68) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL26294556 0.72 MEN1 (0.73) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL26293211 0.71 MEN1 (0.75) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL26294624 0.70 MEN1 (0.86) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL26296124 0.67 MEN1 (1.00) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL6722302 0.67 MCL1 (0.77) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL6262120 0.66 MEN1 (1.00) MEN1KMT2APKMPOLBALDH1A1

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-2022056068-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OFCALIFORNIA (US) 2022-03-17 — — WO disclosed
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