SCHEMBL31185016

SCHEMBL31185016

COc1cc(NC(=O)C2CCC(N3Cc4c(C)ccc(CNS(C)(=O)=O)c4NC3=O)CC2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CHKA P35790 1/20 0.36
▸ CHKB Q9Y259 1/20 0.36
▸ GAA P10253 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
SCHEMBL31184717 0.89 POLB (0.39) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184731 0.89 POLB (0.41) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31185029 0.88 POLB (0.41) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184841 0.87 POLB (0.45) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31185003 0.86 POLB (0.39) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184519 0.86 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184359 0.86 POLB (0.47) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184998 0.85 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184756 0.84 POLB (0.43) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184644 0.83 MAPT (0.43) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP3A4

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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