SCHEMBL31184564

SCHEMBL31184564

COc1cc(NC(=O)CC2CC(N3Cc4c(Br)cccc4C3=O)C2)ccc1C.COc1cc(NC(=O)CC2CC(NC(=O)OC(C)(C)C)C2)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.35
▸ CXCR6 O00574 4/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ RORC P51449 2/20 0.32

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
SCHEMBL31184599 0.90 MEN1 (0.40) CACNA1HKMT2AMEN1RAB9ALMNA
SCHEMBL31185055 0.82 ALDH1A1 (0.46) CXCR6KMT2AMEN1RAB9ALMNA
SCHEMBL31184453 0.77 GRM1 (0.40) KMT2AMEN1GRM1MALT1GAA
SCHEMBL31184345 0.74 POLB (0.42) KMT2ARAB9ALMNAGRM1MALT1
SCHEMBL31184754 0.74 MAPT (0.47) KMT2ARAB9ALMNAGRM1L3MBTL1
SCHEMBL31185096 0.74 FPR2 (0.38) KMT2AMEN1GRM1ALDH1A1GAA
SCHEMBL31184905 0.73 GRM1 (0.40) GRM1MALT1ALDH1A1GAAATM
SCHEMBL31184873 0.73 GAA (0.41) LMNAGRM1ALDH1A1GAAL3MBTL1
SCHEMBL31184462 0.72 CYP3A4 (0.40) KMT2ARAB9ALMNAMALT1ALDH1A1
SCHEMBL31184716 0.66 NPSR1 (0.47) KMT2AMEN1RAB9ALMNAMALT1

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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