SCHEMBL25828724

SCHEMBL25828724

CC(C)(O)c1ccc2c(=O)[nH]sc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.46
DDAH1 O94760 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MAOA P21397 1/20 0.44
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TNKS O95271 14/20 0.35
TNKS2 Q9H2K2 14/20 0.35
PARP1 P09874 13/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35

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
SCHEMBL17782899 0.79 MAPT (0.61) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL11737600 0.73 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL17272797 0.72 ALDH1A1 (0.48) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL25834539 0.70 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPOLBKDM4E
Ticlatone SCHEMBL30165586 0.69 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPOLBKDM4E
Ticlatone SCHEMBL193888 0.69 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL5807922 0.69 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL92265 0.69 ALDH1A1 (0.56) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL6232500 0.68 ALDH1A1 (0.50) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL79222 0.68 ALDH1A1 (0.50) ALDH1A1LMNAMAPTPOLBKDM4E

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
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed