SCHEMBL26293052

SCHEMBL26293052

O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cc2ccccc2cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.71
KMT2A Q03164 13/20 0.71
POLB P06746 11/20 0.71
ALDH1A1 P00352 10/20 0.71
MAPT P10636 10/20 0.71
KDM4E B2RXH2 9/20 0.71
HPGD P15428 7/20 0.71
NR4A1 P22736 4/20 0.71
ALOX12 P18054 4/20 0.71
APEX1 P27695 4/20 0.71
USP2 O75604 3/20 0.71
HTT P42858 3/20 0.71
ESR2 Q92731 2/20 0.71
ESR1 P03372 1/20 0.71
L3MBTL1 Q9Y468 10/20 0.70
MCL1 Q07820 9/20 0.70
BLM P54132 8/20 0.70
PKM P14618 6/20 0.70
TDP1 Q9NUW8 6/20 0.70
RECQL P46063 6/20 0.70

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
SCHEMBL26293025 0.86 KMT2A (0.73) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL26294531 0.84 MEN1 (0.76) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL26293058 0.84 MEN1 (0.78) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL13856429 0.83 MEN1 (1.00) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL13856422 0.83 MEN1 (1.00) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL26294069 0.82 MEN1 (0.68) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL6722302 0.79 MCL1 (0.77) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL26295615 0.79 KMT2A (0.75) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL13856578 0.78 MEN1 (1.00) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL26294624 0.78 MEN1 (0.86) MEN1KMT2APOLBALDH1A1MAPT

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