SCHEMBL31184648

SCHEMBL31184648

COc1cc(NC(=O)C2CCC(N3Cc4c(ccc(CN(C(=O)O)C(C)(C)C)c4C)NC3=O)CC2)ccc1C.COc1cc(NC(=O)C2CCC(N3Cc4c(ccc(CN)c4C)NC3=O)CC2)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CHKA P35790 1/20 0.34
▸ CHKB Q9Y259 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ HCK P08631 1/20 0.33
▸ NR2C2 P49116 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MALT1 Q9UDY8 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ USP2 O75604 1/20 0.31
▸ SMYD3 Q9H7B4 2/20 0.31

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
SCHEMBL31184853 0.91 POLB (0.41) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184687 0.84 TYK2 (0.37) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184993 0.83 CHKA (0.37) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184397 0.81 POLB (0.45) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184940 0.81 CHKA (0.42) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184966 0.81 CHKA (0.37) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31185029 0.80 POLB (0.41) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184653 0.80 POLB (0.42) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184472 0.79 POLB (0.41) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184884 0.78 POLB (0.43) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4

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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