SCHEMBL31184406

SCHEMBL31184406

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ MALT1 Q9UDY8 2/20 0.41
▸ CHKA P35790 1/20 0.40
▸ CHKB Q9Y259 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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 0.94 POLB (0.43) POLBALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184899 0.94 MALT1 (0.45) POLBALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31185102 0.93 POLB (0.44) POLBALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184597 0.92 POLB (0.41) POLBALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184551 0.92 TP53 (0.41) POLBALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184995 0.91 MALT1 (0.41) POLBALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31185043 0.91 POLB (0.41) POLBALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184531 0.91 POLB (0.40) POLBALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31185080 0.90 MALT1 (0.53) ALDH1A1SMN1; SMN2MALT1HPGD
SCHEMBL31184724 0.90 TP53 (0.43) POLBALDH1A1MAPK1CYP1A2CYP3A4

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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