SCHEMBL21153259

SCHEMBL21153259

CNC(=O)[C@@H](CS)NC(=O)[C@](C)(F)NC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.37
MMP1 P03956 10/20 0.35
ACE P12821 1/20 0.35
MMP3 P08254 9/20 0.35
MMP9 P14780 8/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 1/20 0.30

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
SCHEMBL21153260 0.86 BMP1 (0.35) BMP1MMP1ACEMMP3MMP9
SCHEMBL19934718 0.84
SCHEMBL21153326 0.83 BMP1 (0.37) BMP1MMP1ACEMMP3MMP9
SCHEMBL21153875 0.83 BMP1 (0.39) BMP1MMP1ACEMMP3MMP9
SCHEMBL21153877 0.75 BMP1 (0.36) BMP1MMP1ACEMMP3MMP9
SCHEMBL21153327 0.75 BMP1 (0.34) BMP1MMP1ACEMMP3KDM4E
SCHEMBL4990551 0.74 BMP1 (0.45) BMP1MMP1ACEMMP3MMP9
SCHEMBL4704123 0.72 BMP1 (0.47) BMP1MMP1ACEMMP3MMP9
SCHEMBL13299209 0.72 KDM4E (0.63) BMP1MMP1ACEMMP3MMP9
SCHEMBL12632549 0.72 KDM4E (0.63) BMP1MMP1ACEMMP3MMP9

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-3508476-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) 2019-07-10 EP disclosed