SCHEMBL31184693

SCHEMBL31184693

COc1cc(NC(=O)C2CCC(N3Cc4c(C)ccc(Cl)c4C3=O)CC2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 8/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CHKA P35790 1/20 0.44
▸ CHKB Q9Y259 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GRM4 Q14833 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ACLY P53396 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL31184510 0.93 SMN1; SMN2 (0.46) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184879 0.91 CHKA (0.42) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184831 0.87 ALDH1A1 (0.45) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184573 0.86 MALT1 (0.46) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184909 0.86 SMN1; SMN2 (0.39) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184972 0.84 POLB (0.44) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184499 0.84 MALT1 (0.46) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184841 0.83 POLB (0.45) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184973 0.82 POLB (0.44) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184899 0.82 MALT1 (0.45) MALT1SMN1; SMN2ALDH1A1CYP1A2CYP3A4

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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