SCHEMBL7433437

SCHEMBL7433437

O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1CC(=O)N(C(CS)Cc2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.57
STAT3 P40763 1/20 0.56
KMT2A Q03164 2/20 0.53
CYP2C19 P33261 1/20 0.53
DNMT3B Q9UBC3 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.49
ECE1 P42892 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7442303 0.85 ALDH1A1 (0.53) KMT2ACYP2C19PKMMEN1MAPT
SCHEMBL7439151 0.78 MME (0.46) PKMMAPTGAASMN1; SMN2
SCHEMBL2443777 0.76 DNMT1 (0.73) DNMT1STAT3KMT2ACYP2C19DNMT3B
SCHEMBL19244073 0.76 DNMT1 (0.73) DNMT1STAT3KMT2ACYP2C19DNMT3B
SCHEMBL7446522 0.75 CPA3 (0.44) PKMMAPTSMN1; SMN2
SCHEMBL3081901 0.75 DNMT1 (0.75) DNMT1STAT3KMT2ACYP2C19DNMT3B
SCHEMBL4214992 0.75 DNMT1 (0.75) DNMT1STAT3KMT2ACYP2C19DNMT3B
SCHEMBL2445932 0.75 DNMT1 (0.75) DNMT1STAT3KMT2ACYP2C19DNMT3B
SCHEMBL1984728 0.75 DNMT1 (0.75) DNMT1STAT3KMT2ACYP2C19DNMT3B
SCHEMBL23683013 0.73 DNMT1 (1.00) DNMT1STAT3KMT2ACYP2C19DNMT3B

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