SCHEMBL26294645

SCHEMBL26294645

O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1c(O)cccc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 1/20 0.75
▸ KMT2A Q03164 13/20 0.67
▸ MEN1 O00255 12/20 0.67
▸ ALDH1A1 P00352 10/20 0.67
▸ POLB P06746 10/20 0.67
▸ MAPT P10636 9/20 0.67
▸ MCL1 Q07820 9/20 0.67
▸ L3MBTL1 Q9Y468 8/20 0.67
▸ KDM4E B2RXH2 8/20 0.67
▸ PKM P14618 6/20 0.67
▸ HPGD P15428 6/20 0.67
▸ TDP1 Q9NUW8 6/20 0.67
▸ THRB P10828 5/20 0.67
▸ RECQL P46063 5/20 0.67
▸ APEX1 P27695 4/20 0.67
▸ GAA P10253 3/20 0.67
▸ ESR2 Q92731 2/20 0.67
▸ BLM P54132 7/20 0.62
▸ NR4A1 P22736 4/20 0.62
▸ ALOX12 P18054 3/20 0.62

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
SCHEMBL26294069 0.80 MEN1 (0.68) PTP4A3KMT2AMEN1ALDH1A1POLB
SCHEMBL13856422 0.77 MEN1 (1.00) PTP4A3KMT2AMEN1ALDH1A1POLB
SCHEMBL26293052 0.76 MEN1 (0.71) PTP4A3KMT2AMEN1ALDH1A1POLB
SCHEMBL26293192 0.76 MEN1 (0.85) PTP4A3KMT2AMEN1ALDH1A1POLB
SCHEMBL26294531 0.75 MEN1 (0.76) PTP4A3KMT2AMEN1ALDH1A1POLB
SCHEMBL26293025 0.74 KMT2A (0.73) PTP4A3KMT2AMEN1ALDH1A1POLB
SCHEMBL13856578 0.74 MEN1 (1.00) PTP4A3KMT2AMEN1ALDH1A1POLB
SCHEMBL26293177 0.74 MEN1 (0.82) PTP4A3KMT2AMEN1ALDH1A1POLB
SCHEMBL24277916 0.73 MCL1 (0.74) PTP4A3KMT2AMEN1ALDH1A1POLB
SCHEMBL13856429 0.73 MEN1 (1.00) PTP4A3KMT2AMEN1ALDH1A1POLB

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
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