SCHEMBL31184820

SCHEMBL31184820

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.49
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GRM1 Q13255 2/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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) MAPK1TSHRKMT2APOLBTYK2
SCHEMBL31184973 0.92 POLB (0.44) MAPK1TSHRKMT2APOLBTYK2
SCHEMBL31184861 0.90 POLB (0.43) MAPK1TSHRKMT2ATP53POLB
SCHEMBL31184573 0.90 MALT1 (0.46) MAPK1KMT2APOLBTYK2ALDH1A1
SCHEMBL31184954 0.89 CHKA (0.43) MAPK1TSHRKMT2APOLBTYK2
SCHEMBL31184345 0.89 POLB (0.42) MAPK1TSHRKMT2APOLBTYK2
SCHEMBL31184829 0.89 POLB (0.43) MAPK1TSHRKMT2ATP53POLB
SCHEMBL31184449 0.89 MAPT (0.42) MAPK1TSHRKMT2ATP53POLB
SCHEMBL31184700 0.89 POLB (0.42) MAPK1TSHRKMT2APOLBTYK2
SCHEMBL31184817 0.89 MAPT (0.43) MAPK1TSHRKMT2ATP53POLB

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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