SCHEMBL31184993

SCHEMBL31184993

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.37
▸ CHKB Q9Y259 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MALT1 Q9UDY8 9/20 0.36
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ACLY P53396 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ GRM4 Q14833 1/20 0.34

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
SCHEMBL31184879 0.91 CHKA (0.42) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184687 0.88 TYK2 (0.37) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184648 0.83 POLB (0.37) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184693 0.83 MALT1 (0.45) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184909 0.82 SMN1; SMN2 (0.39) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184510 0.80 SMN1; SMN2 (0.46) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184804 0.78 POLB (0.41) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184983 0.77 SMN1; SMN2 (0.40) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184573 0.76 MALT1 (0.46) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31185029 0.75 POLB (0.41) CHKACHKBSMN1; SMN2ALDH1A1CYP1A2

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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