SCHEMBL31184972

SCHEMBL31184972

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ TYK2 P29597 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ MALT1 Q9UDY8 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHKA P35790 1/20 0.41
▸ CHKB Q9Y259 1/20 0.41
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 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
SCHEMBL31184973 0.94 POLB (0.44) POLBTYK2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184475 0.94 POLB (0.49) POLBALDH1A1MAPK1ACHEBACE1
SCHEMBL31184861 0.93 POLB (0.43) POLBTYK2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184573 0.93 MALT1 (0.46) POLBTYK2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184761 0.93 MAPT (0.43) POLBTYK2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184640 0.93 POLB (0.45) POLBTYK2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184499 0.92 MALT1 (0.46) POLBTYK2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184954 0.92 CHKA (0.43) POLBTYK2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184345 0.92 POLB (0.42) POLBTYK2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184820 0.92 MAPK1 (0.49) POLBTYK2ALDH1A1SMN1; SMN2CYP1A2

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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