SCHEMBL31184902

SCHEMBL31184902

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 15/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL31184499 0.93 MALT1 (0.46) MALT1SMN1; SMN2ALDH1A1
SCHEMBL31184640 0.92 POLB (0.45) MALT1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31184475 0.92 POLB (0.49) MALT1ALDH1A1HPGD
SCHEMBL31184972 0.90 POLB (0.44) MALT1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31184763 0.90 EPHX2 (0.49) MALT1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31184468 0.89 TP53 (0.44) MALT1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31184818 0.89 ALDH1A1 (0.46) MALT1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31184761 0.88 MAPT (0.43) MALT1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31184573 0.88 MALT1 (0.46) MALT1SMN1; SMN2ALDH1A1
SCHEMBL31184994 0.88 GRM1 (0.44) 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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