SCHEMBL31185096

SCHEMBL31185096

CC(C)(C)OC(=O)N1CC(N2Cc3c(Br)cccc3C2=O)C1.COc1cc(NC(=O)C(C)N2CC(N3Cc4c(Br)cccc4C3=O)C2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.38
▸ GAA P10253 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GRM1 Q13255 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ F13A1 P00488 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ TGM1 P22735 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ ERBB3 P21860 1/20 0.33
▸ ERBB4 Q15303 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL31184873 0.92 GAA (0.41) GAAATMGRM1MAPTL3MBTL1
SCHEMBL31184875 0.79 FPR2 (0.44) FPR2
SCHEMBL31184345 0.77 POLB (0.42) GRM1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL31184754 0.76 MAPT (0.47) GRM1MAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL31184453 0.74 GRM1 (0.40) GAAATMGRM1MAPTMEN1
SCHEMBL31184772 0.74 EHMT2 (0.38) FPR2MAPTF13A1TGM2TGM1
SCHEMBL31184599 0.74 MEN1 (0.40) GAAATMGRM1MAPTTHRB
SCHEMBL31184905 0.72 GRM1 (0.40) GAAATMGRM1ALDH1A1SMN1; SMN2
SCHEMBL31184482 0.70 TP53 (0.48) FPR2MAPTL3MBTL1THRB
SCHEMBL31184839 0.70 IDH1 (0.39) GAAGRM1L3MBTL1KMT2AALDH1A1

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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