SCHEMBL31185032

SCHEMBL31185032

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cc(NCCN(C)C)cc4NC3=O)CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 12/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ACHE P22303 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 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
SCHEMBL31184418 0.94 ALDH1A1 (0.39) MALT1SMN1; SMN2ACHEALDH1A1HPGD
SCHEMBL31184593 0.92 ALDH1A1 (0.39) SMN1; SMN2ACHEALDH1A1HPGD
SCHEMBL31184917 0.90 ALDH1A1 (0.38) SMN1; SMN2ACHEMAPTALDH1A1HPGD
SCHEMBL31184767 0.88 MALT1 (0.45) MALT1SMN1; SMN2ACHEMAPTALDH1A1
SCHEMBL31185080 0.83 MALT1 (0.53) MALT1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31184614 0.82 ALDH1A1 (0.40) MALT1SMN1; SMN2ACHEMAPTALDH1A1
SCHEMBL31184945 0.81 MCHR1 (0.38) SMN1; SMN2ACHEALDH1A1HPGD
SCHEMBL31184541 0.81 JAK2 (0.38) —
SCHEMBL31184709 0.80 MALT1 (0.51) MALT1SMN1; SMN2MAPT
SCHEMBL31184603 0.79 MALT1 (0.52) MALT1SMN1; SMN2MAPTALDH1A1HPGD

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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