SCHEMBL31184702

SCHEMBL31184702

COc1cc(NC(=O)[C@@H]2CC[C@@H](N3Cc4c(C)cc(N)cc4C3=O)C2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MALT1 Q9UDY8 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HPGD P15428 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 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
SCHEMBL31184585 0.95 CHKA (0.44) POLBALDH1A1SMN1; SMN2MAPK1CHKA
SCHEMBL31184464 0.87 CHKA (0.42) POLBALDH1A1SMN1; SMN2MAPK1CHKA
SCHEMBL31184929 0.86 ALOX5 (0.40) POLBALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL31184788 0.85 POLB (0.44) POLBALDH1A1SMN1; SMN2MAPK1CHKA
SCHEMBL31184824 0.84 ALDH1A1 (0.37) POLBALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL31184633 0.84 POLB (0.43) POLBALDH1A1SMN1; SMN2MAPK1CHKA
SCHEMBL31184647 0.84 POLB (0.43) POLBALDH1A1SMN1; SMN2MAPK1CHKA
SCHEMBL31184906 0.83 ACHE (0.43) POLBALDH1A1SMN1; SMN2MAPK1CHKA
SCHEMBL31184629 0.82 POLB (0.42) POLBALDH1A1SMN1; SMN2MAPK1CHKA
SCHEMBL31184607 0.82 POLB (0.42) POLBALDH1A1SMN1; SMN2MAPK1CHKA

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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