SCHEMBL25320352

SCHEMBL25320352

Cc1cc2c(cc1NC(=O)O)C(C)NC2=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.35
MKNK2 Q9HBH9 2/20 0.35
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL25321690 0.85 MKNK1 (0.34) MKNK1MKNK2
SCHEMBL25319641 0.83 CA12 (0.39)
SCHEMBL25317322 0.72 BCHE (0.46) MKNK1MKNK2KDM4EALDH1A1
SCHEMBL25319420 0.72 ATAD2 (0.38) MKNK1MKNK2KDM4EALDH1A1
SCHEMBL31555351 0.68 CYP17A1 (0.38) MKNK1MKNK2
SCHEMBL25318788 0.68 CYP17A1 (0.38) MKNK1MKNK2
SCHEMBL11058044 0.66 KMT2A (0.41) ALDH1A1
SCHEMBL23745465 0.66 MKNK2 (0.38) MKNK1MKNK2KDM4EALDH1A1
SCHEMBL23727834 0.66 MKNK2 (0.38) MKNK1MKNK2KDM4EALDH1A1
Fluoride SCHEMBL11791995 0.65 ABCC1 (0.40) ALDH1A1

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-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 WO disclosed