SCHEMBL31184599

SCHEMBL31184599

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GRM1 Q13255 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ AAK1 Q2M2I8 2/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GRM4 Q14833 1/20 0.36

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
SCHEMBL31184564 0.90 CACNA1H (0.35) MEN1KMT2ARAB9AGRM1ALDH1A1
SCHEMBL31184453 0.85 GRM1 (0.40) MEN1KMT2AGRM1MAPTGAA
SCHEMBL31184345 0.82 POLB (0.42) KMT2ARAB9AGRM1ALDH1A1HPGD
SCHEMBL31184754 0.82 MAPT (0.47) KMT2ARAB9AGRM1LMNAMAPT
SCHEMBL31184905 0.81 GRM1 (0.40) GRM1ALDH1A1GAAATMSMN1; SMN2
SCHEMBL31184873 0.80 GAA (0.41) GRM1ALDH1A1KDM4ELMNAMAPT
SCHEMBL31184972 0.74 POLB (0.44) KMT2ARAB9AALDH1A1HPGDLMNA
SCHEMBL31184973 0.74 POLB (0.44) KMT2ARAB9AALDH1A1HPGDMAPT
SCHEMBL31184716 0.73 NPSR1 (0.47) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL31184861 0.73 POLB (0.43) KMT2ARAB9AALDH1A1HPGDTP53

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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