SCHEMBL31184603

SCHEMBL31184603

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)ccc(OC)c4NC3=O)CC2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 12/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL31185060 0.92 SMN1; SMN2 (0.47) MALT1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL31184359 0.92 POLB (0.47) MALT1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL31185080 0.88 MALT1 (0.53) MALT1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31184508 0.88 ALDH1A1 (0.45) MALT1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL31184841 0.87 POLB (0.45) MALT1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL31184671 0.86 MALT1 (0.58) MALT1SMN1; SMN2
SCHEMBL31184793 0.86 ALDH1A1 (0.42) MALT1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL31184756 0.85 POLB (0.43) MALT1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL31184709 0.84 MALT1 (0.51) MALT1SMN1; SMN2MAPT
SCHEMBL31184644 0.84 MAPT (0.43) MALT1SMN1; SMN2ALDH1A1HPGDMAPT

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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