SCHEMBL31184453

SCHEMBL31184453

COc1cc(NC(=O)C2[C@H]3CC(N4Cc5c(Br)cccc5C4=O)C[C@@H]23)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ MALT1 Q9UDY8 6/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ GSPT1 P15170 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL31184345 0.87 POLB (0.42) GRM1MAPTMALT1KMT2ACYP3A4
SCHEMBL31184905 0.87 GRM1 (0.40) GRM1GAAATMGRM4MALT1
SCHEMBL31184599 0.85 MEN1 (0.40) GRM1MAPTGAAATMGRM4
SCHEMBL31184754 0.82 MAPT (0.47) GRM1MAPTKMT2A
SCHEMBL31184873 0.81 GAA (0.41) GRM1MAPTGAAATM
SCHEMBL31184973 0.78 POLB (0.44) MAPTMALT1KMT2ACYP3A4
SCHEMBL31184972 0.78 POLB (0.44) MAPTMALT1KMT2ACYP3A4
SCHEMBL31184761 0.77 MAPT (0.43) MAPTMALT1KMT2AMEN1CYP3A4
SCHEMBL31184861 0.77 POLB (0.43) MAPTMALT1KMT2ACYP3A4
SCHEMBL31184573 0.77 MALT1 (0.46) GRM1GRM4MALT1KMT2AGSPT1

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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