SCHEMBL31184909

SCHEMBL31184909

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MALT1 Q9UDY8 6/20 0.38
▸ CHKA P35790 1/20 0.37
▸ CHKB Q9Y259 1/20 0.37
▸ ACLY P53396 1/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ EPHX2 P34913 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GRM4 Q14833 1/20 0.36

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
SCHEMBL31184983 0.89 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAHTTCYP1A2
SCHEMBL31184879 0.87 CHKA (0.42) SMN1; SMN2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184462 0.87 CYP3A4 (0.40) SMN1; SMN2ALDH1A1LMNAHTTCYP1A2
SCHEMBL31184693 0.86 MALT1 (0.45) SMN1; SMN2ALDH1A1LMNAHTTCYP1A2
SCHEMBL31184519 0.84 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAHTTCYP1A2
SCHEMBL31184510 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHTTCYP1A2
SCHEMBL31184993 0.82 CHKA (0.37) SMN1; SMN2ALDH1A1LMNAHTTCYP1A2
SCHEMBL31184573 0.79 MALT1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184952 0.77 CHKA (0.37) SMN1; SMN2ALDH1A1LMNAHTTCYP1A2
SCHEMBL31184831 0.74 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNAHTTCYP1A2

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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