SCHEMBL31184804

SCHEMBL31184804

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TYK2 P29597 1/20 0.40
▸ CHKA P35790 2/20 0.40
▸ CHKB Q9Y259 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
▸ KMT2A Q03164 2/20 0.40
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CD274 Q9NZQ7 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MALT1 Q9UDY8 1/20 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) POLBMAPTTYK2CHKACHKB
SCHEMBL31184449 0.92 MAPT (0.42) POLBMAPTTYK2CHKACHKB
SCHEMBL31184687 0.91 TYK2 (0.37) POLBMAPTTYK2CHKACHKB
SCHEMBL31184573 0.90 MALT1 (0.46) POLBTYK2CHKACHKBALDH1A1
SCHEMBL31184973 0.89 POLB (0.44) POLBMAPTTYK2CHKACHKB
SCHEMBL31184972 0.89 POLB (0.44) POLBMAPTTYK2CHKACHKB
SCHEMBL31184954 0.89 CHKA (0.43) POLBMAPTTYK2CHKACHKB
SCHEMBL31184861 0.88 POLB (0.43) POLBMAPTTYK2CHKACHKB
SCHEMBL31184345 0.87 POLB (0.42) POLBMAPTTYK2CHKACHKB
SCHEMBL31184820 0.87 MAPK1 (0.49) POLBMAPTTYK2CHKACHKB

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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