SCHEMBL31184669

SCHEMBL31184669

COc1cc(NC(=O)C2CCC(N3Cc4c(C)cc(C(=O)NCCN(C)C)cc4C3=O)CC2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.39
▸ MAPK14 Q16539 4/20 0.39
▸ PIP5K1C O60331 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ CHKA P35790 1/20 0.35
▸ CHKB Q9Y259 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
SCHEMBL31184642 0.88 ALDH1A1 (0.40) MAPK14ACHEBACE1MAPTALDH1A1
SCHEMBL31184945 0.88 MCHR1 (0.38) MCHR1MAPK14PIP5K1CPIK3CAACHE
SCHEMBL31184575 0.87 MAPK14 (0.43) MAPK14ACHEBACE1MAPTKMT2A
SCHEMBL31184906 0.85 ACHE (0.43) ACHEBACE1MAPTKMT2AALDH1A1
SCHEMBL31184762 0.85 ALDH1A1 (0.39) MCHR1ACHEBACE1MAPTKMT2A
SCHEMBL31184824 0.85 ALDH1A1 (0.37) ACHEBACE1MAPTKMT2AALDH1A1
SCHEMBL31184842 0.83 HPGD (0.37) ACHEBACE1MAPTALDH1A1POLB
SCHEMBL31184894 0.83 POLB (0.42) ACHEBACE1MAPTALDH1A1POLB
SCHEMBL31184614 0.83 ALDH1A1 (0.40) ACHEBACE1MAPTKMT2AALDH1A1
SCHEMBL31184788 0.82 POLB (0.44) ACHEBACE1KMT2AALDH1A1POLB

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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