SCHEMBL26293035

SCHEMBL26293035

Oc1ccc2ccccc2c1NC(O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 0.48
▸ KMT2A Q03164 14/20 0.48
▸ POLB P06746 12/20 0.48
▸ ALDH1A1 P00352 11/20 0.48
▸ MAPT P10636 11/20 0.48
▸ KDM4E B2RXH2 10/20 0.48
▸ MCL1 Q07820 10/20 0.48
▸ L3MBTL1 Q9Y468 9/20 0.48
▸ BLM P54132 9/20 0.48
▸ HPGD P15428 8/20 0.48
▸ RECQL P46063 7/20 0.48
▸ NR4A1 P22736 5/20 0.48
▸ THRB P10828 5/20 0.48
▸ PTPN7 P35236 3/20 0.48
▸ DUSP3 P51452 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ USP2 O75604 3/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48

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) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL26294531 0.69 MEN1 (0.76) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL2113647 0.66 ALDH1A1 (1.00) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL24277664 0.66 MEN1 (0.53) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL26293052 0.66 MEN1 (0.71) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL6722302 0.65 MCL1 (0.77) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL20919142 0.65 MEN1 (0.72) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL30518187 0.65 MEN1 (0.72) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL26293058 0.65 MEN1 (0.78) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL24277667 0.64 MCL1 (1.00) 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
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