SCHEMBL31184505

SCHEMBL31184505

COc1cc(NC(=O)C2CCC(N3Cc4c(C)cc(Br)cc4NC3=O)C2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MALT1 Q9UDY8 7/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ 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
SCHEMBL31184729 1.00 POLB (0.39) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184365 0.95 POLB (0.42) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184594 0.85 POLB (0.42) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184552 0.85 POLB (0.41) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184492 0.84 CHKA (0.42) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31185031 0.84 HSD17B10 (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184569 0.84 ACHE (0.42) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184628 0.83 CHRM4 (0.42) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184559 0.83 POLB (0.41) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184406 0.82 POLB (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1

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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