SCHEMBL31184419

SCHEMBL31184419

COc1cc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)ccc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ MALT1 Q9UDY8 2/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHKA P35790 1/20 0.40
▸ CHKB Q9Y259 1/20 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
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 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
SCHEMBL31184972 0.92 POLB (0.44) POLBTYK2ACHEBACE1MALT1
SCHEMBL31184475 0.92 POLB (0.49) POLBACHEBACE1MALT1MAPT
SCHEMBL31184700 0.90 POLB (0.42) POLBTYK2ACHEBACE1MALT1
SCHEMBL31184761 0.90 MAPT (0.43) POLBTYK2ACHEBACE1MALT1
SCHEMBL31184640 0.90 POLB (0.45) POLBTYK2ACHEBACE1MALT1
SCHEMBL31184499 0.89 MALT1 (0.46) POLBTYK2ACHEBACE1MALT1
SCHEMBL31184741 0.89 MAPT (0.43) POLBTYK2ACHEBACE1MALT1
SCHEMBL31184740 0.88 IMPDH2 (0.47) POLBTYK2ACHEBACE1MALT1
SCHEMBL31184851 0.88 POLB (0.41) POLBTYK2ACHEBACE1MALT1
SCHEMBL31184902 0.88 MALT1 (0.54) MALT1ALDH1A1SMN1; SMN2TSHRHPGD

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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