SCHEMBL31184933

SCHEMBL31184933

COc1cc(NC(=O)C2CCC(N3Cc4c(Br)cncc4C3=O)CC2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHKA P35790 1/20 0.40
▸ CHKB Q9Y259 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MALT1 Q9UDY8 3/20 0.39
▸ TP53 P04637 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL31184345 0.88 POLB (0.42) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184975 0.86 POLB (0.40) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184464 0.86 CHKA (0.42) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184647 0.85 POLB (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31185126 0.84 MALT1 (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184581 0.83 POLB (0.42) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184972 0.83 POLB (0.44) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184973 0.83 POLB (0.44) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31185063 0.83 MALT1 (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184820 0.82 MAPK1 (0.49) 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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