SCHEMBL31184914

SCHEMBL31184914

COc1cc(NC(=O)C2CCC(N3Cc4cc(Br)ccc4C3=O)CC2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.46
▸ POLB P06746 2/20 0.43
▸ 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
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ IKZF2 Q9UKS7 1/20 0.40
▸ CHKA P35790 1/20 0.40
▸ CHKB Q9Y259 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL31184856 0.88 TYK2 (0.47) TYK2POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184647 0.85 POLB (0.43) TYK2POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184374 0.85 RAB9A (0.50) TYK2POLBALDH1A1MAPK1SMN1; SMN2
SCHEMBL31184581 0.84 POLB (0.42) TYK2POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184345 0.83 POLB (0.42) TYK2POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184972 0.81 POLB (0.44) TYK2POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184973 0.81 POLB (0.44) TYK2POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184933 0.81 POLB (0.41) TYK2POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184464 0.81 CHKA (0.42) TYK2POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31185126 0.81 MALT1 (0.43) 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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