SCHEMBL26294993

SCHEMBL26294993

COC(=O)c1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.73
KMT2A Q03164 12/20 0.73
POLB P06746 10/20 0.73
MAPT P10636 10/20 0.73
ALDH1A1 P00352 9/20 0.73
KDM4E B2RXH2 8/20 0.73
HPGD P15428 5/20 0.73
APEX1 P27695 4/20 0.73
ALOX12 P18054 3/20 0.73
NR4A1 P22736 3/20 0.73
ESR2 Q92731 2/20 0.73
USP2 O75604 2/20 0.73
ESR1 P03372 1/20 0.73
HTT P42858 1/20 0.73
MCL1 Q07820 8/20 0.68
L3MBTL1 Q9Y468 7/20 0.68
BLM P54132 6/20 0.68
TDP1 Q9NUW8 6/20 0.68
THRB P10828 4/20 0.68
RECQL P46063 4/20 0.68

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
SCHEMBL26295615 0.91 KMT2A (0.75) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL13856429 0.85 MEN1 (1.00) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26295258 0.82 MEN1 (0.56) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26293177 0.81 MEN1 (0.82) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL1895132 0.80 MEN1 (0.77) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26293025 0.79 KMT2A (0.73) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL20272154 0.79 MEN1 (0.66) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL13856578 0.78 MEN1 (1.00) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26293052 0.77 MEN1 (0.71) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL15814086 0.77 MEN1 (0.84) 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