SCHEMBL31184640

SCHEMBL31184640

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MALT1 Q9UDY8 4/20 0.44
▸ TYK2 P29597 1/20 0.43
▸ CHKA P35790 1/20 0.43
▸ CHKB Q9Y259 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 2/20 0.42

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
SCHEMBL31184475 0.94 POLB (0.49) POLBALDH1A1MAPK1MALT1CHKA
SCHEMBL31184972 0.93 POLB (0.44) POLBTSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL31184468 0.92 TP53 (0.44) POLBTSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL31184902 0.92 MALT1 (0.54) TSHRSMN1; SMN2ALDH1A1MALT1HPGD
SCHEMBL31184741 0.91 MAPT (0.43) POLBTSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL31184818 0.91 ALDH1A1 (0.46) POLBTSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL31184761 0.91 MAPT (0.43) POLBTSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL31184419 0.90 POLB (0.42) POLBTSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL31184499 0.90 MALT1 (0.46) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184979 0.89 ALDH1A1 (0.46) POLBTSHRSMN1; SMN2ALDH1A1MAPK1

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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