SCHEMBL31184449

SCHEMBL31184449

COc1cc(NC(=O)C2CCC(N3Cc4c(CF)cccc4C3=O)CC2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ CHKA P35790 1/20 0.38
▸ CHKB Q9Y259 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TP53 P04637 2/20 0.38

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
SCHEMBL31184817 0.93 MAPT (0.43) MAPTTYK2POLBKMT2ATSHR
SCHEMBL31184804 0.92 POLB (0.41) MAPTTYK2POLBKMT2ATSHR
SCHEMBL31184573 0.90 MALT1 (0.46) TYK2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL31184972 0.89 POLB (0.44) MAPTTYK2POLBKMT2ATSHR
SCHEMBL31184973 0.89 POLB (0.44) MAPTTYK2POLBKMT2ATSHR
SCHEMBL31184820 0.89 MAPK1 (0.49) MAPTTYK2POLBKMT2ATSHR
SCHEMBL31184861 0.88 POLB (0.43) MAPTTYK2POLBKMT2ATSHR
SCHEMBL31184345 0.87 POLB (0.42) MAPTTYK2POLBKMT2ATSHR
SCHEMBL31184954 0.87 CHKA (0.43) MAPTTYK2POLBKMT2ATSHR
SCHEMBL31184829 0.86 POLB (0.43) MAPTTYK2POLBKMT2ATSHR

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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