SCHEMBL31185080

SCHEMBL31185080

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4NC3=O)CC2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 14/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL31185102 0.92 POLB (0.44) MALT1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31184406 0.90 POLB (0.43) MALT1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31184724 0.90 TP53 (0.43) MALT1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31184899 0.90 MALT1 (0.45) MALT1SMN1; SMN2ALDH1A1
SCHEMBL31184789 0.88 ALDH1A1 (0.44) MALT1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31184603 0.88 MALT1 (0.52) MALT1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31185043 0.87 POLB (0.41) MALT1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31184579 0.86 ALDH1A1 (0.42) MALT1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31184895 0.86 MGLL (0.47) MALT1SMN1; SMN2HPGD
SCHEMBL31184902 0.86 MALT1 (0.54) MALT1SMN1; SMN2ALDH1A1HPGDTSHR

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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