SCHEMBL26294069

SCHEMBL26294069

O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1c(O)ccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 0.68
▸ KMT2A Q03164 14/20 0.68
▸ ALDH1A1 P00352 11/20 0.68
▸ MAPT P10636 11/20 0.68
▸ MCL1 Q07820 10/20 0.68
▸ KDM4E B2RXH2 10/20 0.68
▸ L3MBTL1 Q9Y468 9/20 0.68
▸ BLM P54132 9/20 0.68
▸ HPGD P15428 8/20 0.68
▸ RECQL P46063 7/20 0.68
▸ TDP1 Q9NUW8 7/20 0.68
▸ PKM P14618 6/20 0.68
▸ THRB P10828 5/20 0.68
▸ NR4A1 P22736 5/20 0.68
▸ ALOX12 P18054 4/20 0.68
▸ BID P55957 1/20 0.68
▸ BCL2A1 Q16548 1/20 0.68
▸ POLB P06746 12/20 0.67
▸ APEX1 P27695 4/20 0.67
▸ GAA P10253 4/20 0.67

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
SCHEMBL26294531 0.85 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL26293052 0.82 MEN1 (0.71) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL13856422 0.81 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL26293058 0.81 MEN1 (0.78) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL26293035 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL26294645 0.80 PTP4A3 (0.75) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL13856429 0.78 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL30518187 0.77 MEN1 (0.72) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL20919142 0.77 MEN1 (0.72) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL26293025 0.77 KMT2A (0.73) MEN1KMT2AALDH1A1MAPTMCL1

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