SCHEMBL31184791

SCHEMBL31184791

COc1cc(NC(=O)C2CCC(N3Cc4ccccc4NC3=O)CC2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GRM4 Q14833 2/20 0.41

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
SCHEMBL31184628 0.95 CHRM4 (0.42) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184406 0.88 POLB (0.43) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184884 0.88 POLB (0.43) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184899 0.87 MALT1 (0.45) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184732 0.86 CALCRL (0.49) CHRM4MAPT
SCHEMBL31184551 0.86 TP53 (0.41) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184597 0.86 POLB (0.41) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184995 0.85 MALT1 (0.41) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184856 0.85 TYK2 (0.47) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184397 0.84 POLB (0.45) ACHEBACE1POLBALDH1A1CYP1A2

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
Send feedback