SCHEMBL7436249

SCHEMBL7436249

O=C(O)Cn1c(=O)n(C(S)CCc2ccccc2)c(=O)n1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7436246 0.80 MME (0.40) ACE
SCHEMBL7440967 0.75 KMT2A (0.37) ACEKMT2AMEN1ALDH1A1
SCHEMBL7437652 0.68 KMT2A (0.40) ACEKMT2AMEN1ALDH1A1
SCHEMBL7440462 0.68 ACE (0.45) ACE
SCHEMBL7439919 0.67 KMT2A (0.39) ACEKMT2AMEN1ALDH1A1
SCHEMBL7438308 0.67 KMT2A (0.39) ACEKMT2AMEN1ALDH1A1
SCHEMBL7425893 0.66 KMT2A (0.44) KMT2AMEN1ALDH1A1
SCHEMBL7432535 0.65 HSD11B1 (0.45) KMT2AMEN1ALDH1A1
SCHEMBL7428792 0.65 CYP2D6 (0.45) ACEKMT2A
SCHEMBL7434183 0.64 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed