SCHEMBL26293177

SCHEMBL26293177

COC(=O)c1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.82
▸ KMT2A Q03164 11/20 0.82
▸ ALDH1A1 P00352 10/20 0.82
▸ POLB P06746 9/20 0.82
▸ MAPT P10636 9/20 0.82
▸ KDM4E B2RXH2 8/20 0.82
▸ MCL1 Q07820 8/20 0.82
▸ L3MBTL1 Q9Y468 7/20 0.82
▸ PKM P14618 6/20 0.82
▸ TDP1 Q9NUW8 6/20 0.82
▸ HPGD P15428 5/20 0.82
▸ THRB P10828 4/20 0.82
▸ RECQL P46063 4/20 0.82
▸ APEX1 P27695 4/20 0.82
▸ GAA P10253 3/20 0.82
▸ ESR2 Q92731 2/20 0.82
▸ BLM P54132 6/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69

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
SCHEMBL26293192 0.91 MEN1 (0.85) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13856429 0.81 MEN1 (1.00) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL26294993 0.81 MEN1 (0.73) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL26293211 0.79 MEN1 (0.75) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13856578 0.78 MEN1 (1.00) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13856422 0.77 MEN1 (1.00) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1895132 0.77 MEN1 (0.77) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL26293182 0.76 MEN1 (0.82) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL26295615 0.75 KMT2A (0.75) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL26294531 0.75 MEN1 (0.76) MEN1KMT2AALDH1A1POLBMAPT

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
Send feedback