SCHEMBL31184597

SCHEMBL31184597

COc1cc(NC(=O)C2CCC(N3Cc4c(Br)cccc4NC3=O)CC2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ MALT1 Q9UDY8 7/20 0.41
▸ ALDH1A1 P00352 2/20 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
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL31184884 0.92 POLB (0.43) POLBMALT1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184406 0.92 POLB (0.43) POLBMALT1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184899 0.91 MALT1 (0.45) POLBMALT1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184551 0.90 TP53 (0.41) POLBMALT1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184472 0.90 POLB (0.41) POLBMALT1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184995 0.89 MALT1 (0.41) POLBMALT1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184975 0.88 POLB (0.40) POLBMALT1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184531 0.88 POLB (0.40) POLBMALT1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184622 0.87 MALT1 (0.43) POLBMALT1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184365 0.87 POLB (0.42) 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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