SCHEMBL6864356

SCHEMBL6864356

CN(CCN(CC(=O)NO)[S+]([O-])c1cc(F)c(Oc2ccc(F)cc2)c(F)c1)C(=O)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MMP3 P08254 1/20 0.36
FKBP1A P62942 1/20 0.36
BMP1 P13497 1/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TACR1 P25103 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6865493 0.77 MMP3 (0.42) MEN1KMT2AMMP3BMP1ALDH1A1
SCHEMBL6864366 0.77 ALDH1A1 (0.34) MMP3ALDH1A1
SCHEMBL6865718 0.76 MMP3 (0.58) MEN1KMT2AMMP3BMP1ALDH1A1
SCHEMBL328554 0.75 MMP3 (0.48) MEN1KMT2AMMP3BMP1ALDH1A1
SCHEMBL6864106 0.75 MMP3 (0.50) MEN1KMT2AMMP3BMP1ALDH1A1
SCHEMBL6864101 0.74 AHCY (0.38) MMP3KDM4E
SCHEMBL6864813 0.73 MMP1 (0.38) KMT2AMMP3BMP1ALDH1A1
SCHEMBL6863772 0.73 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6864164 0.73 MMP2 (0.33) MEN1KMT2AMMP3
SCHEMBL328403 0.73 MEN1 (0.40) MEN1KMT2AMMP3FKBP1ABMP1

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-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed