SCHEMBL31184873

SCHEMBL31184873

COc1cc(NC(=O)C(C)N2CC(N3Cc4c(Br)cccc4C3=O)C2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GRM1 Q13255 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ HTT P42858 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
SCHEMBL31185096 0.92 FPR2 (0.38) GAAATMGRM1L3MBTL1THRB
SCHEMBL31184345 0.82 POLB (0.42) GRM1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL31184453 0.81 GRM1 (0.40) GAAATMGRM1MAPT
SCHEMBL31184754 0.81 MAPT (0.47) GRM1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL31184599 0.80 MEN1 (0.40) GAAATMGRM1THRBMAPT
SCHEMBL31184905 0.78 GRM1 (0.40) GAAATMGRM1ALDH1A1SMN1; SMN2
SCHEMBL31184839 0.76 IDH1 (0.39) GAAGRM1L3MBTL1ALDH1A1HSD17B10
SCHEMBL31184843 0.73 POLB (0.41) MAPTALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL31184973 0.73 POLB (0.44) MAPTALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL31184972 0.73 POLB (0.44) MAPTALDH1A1SMN1; SMN2LMNAMAPK1

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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