SCHEMBL8319376

SCHEMBL8319376

O=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
KDM4E B2RXH2 1/20 0.46
PKM P14618 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL13201304 0.87 POLB (0.54) EPHX2KDM4EPKMMEN1KMT2A
SCHEMBL13201313 0.81 MMP8 (0.48) EPHX2KMT2AHPGDALDH1A1GAA
SCHEMBL8328109 0.80 MEN1 (0.59) KDM4EPKMMEN1KMT2ARAB9A
SCHEMBL13201315 0.77 MMP2 (0.46) EPHX2
SCHEMBL13218242 0.77 MEN1 (0.37) MEN1KMT2ARAB9AHPGDNPC1
SCHEMBL8320651 0.77 MMP9 (0.62)
SCHEMBL8319091 0.76 MMP9 (0.46) POLB
SCHEMBL8324754 0.76 MMP2 (0.48) EPHX2POLB
SCHEMBL2963202 0.76 MMP2 (0.48) EPHX2POLB
SCHEMBL13201339 0.76 MMP2 (0.46) POLBALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed