SCHEMBL31184975

SCHEMBL31184975

COc1cc(NC(=O)C2CCC(N3Cc4c(Br)cncc4NC3=O)CC2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.40
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ MALT1 Q9UDY8 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL31184881 0.92 POLB (0.42) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184597 0.88 POLB (0.41) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184472 0.86 POLB (0.41) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184933 0.86 POLB (0.41) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184365 0.85 POLB (0.42) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184644 0.84 MAPT (0.43) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184884 0.84 POLB (0.43) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184397 0.84 POLB (0.45) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184406 0.84 POLB (0.43) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31185035 0.83 MALT1 (0.43) POLBCHKACHKBALDH1A1CYP1A2

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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