SCHEMBL31184879

SCHEMBL31184879

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.42
▸ CHKB Q9Y259 1/20 0.42
▸ MALT1 Q9UDY8 9/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ ACLY P53396 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL31184993 0.91 CHKA (0.37) CHKACHKBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31184693 0.91 MALT1 (0.45) CHKACHKBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31184510 0.87 SMN1; SMN2 (0.46) CHKACHKBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31184909 0.87 SMN1; SMN2 (0.39) CHKACHKBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31184804 0.85 POLB (0.41) CHKACHKBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31184983 0.84 SMN1; SMN2 (0.40) CHKACHKBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31184573 0.83 MALT1 (0.46) CHKACHKBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31185029 0.82 POLB (0.41) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184853 0.80 POLB (0.41) CHKACHKBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31184831 0.79 ALDH1A1 (0.45) CHKACHKBMALT1SMN1; SMN2ALDH1A1

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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