SCHEMBL31184856

SCHEMBL31184856

COc1cc(NC(=O)C2CCC(N3Cc4ccccc4C3=O)CC2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ ACHE P22303 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ SCN1A P35498 1/20 0.45
▸ SCN5A Q14524 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY5R Q15761 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL31184914 0.88 TYK2 (0.46) TYK2MAPTACHEBACE1POLB
SCHEMBL31184973 0.88 POLB (0.44) TYK2MAPTACHEBACE1POLB
SCHEMBL31184972 0.88 POLB (0.44) TYK2MAPTACHEBACE1POLB
SCHEMBL31184861 0.86 POLB (0.43) TYK2MAPTACHEBACE1POLB
SCHEMBL31184573 0.86 MALT1 (0.46) TYK2ACHEBACE1POLBALDH1A1
SCHEMBL31184345 0.85 POLB (0.42) TYK2MAPTACHEBACE1POLB
SCHEMBL31184954 0.85 CHKA (0.43) TYK2MAPTACHEBACE1POLB
SCHEMBL31184820 0.85 MAPK1 (0.49) TYK2MAPTACHEBACE1POLB
SCHEMBL31184791 0.85 ACHE (0.44) MAPTACHEBACE1POLBALDH1A1
SCHEMBL31184817 0.84 MAPT (0.43) TYK2MAPTACHEBACE1POLB

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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