SCHEMBL6977692

SCHEMBL6977692

O=C(NO)OC1(CS(=O)(=O)N2CCN(c3ccc(-c4cccnc4)cc3)CC2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
MMP9 P14780 2/20 0.40
ADAM10 O14672 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
ADAMTS4 O75173 1/20 0.39
DYRK1A Q13627 1/20 0.39
HDAC1 Q13547 1/20 0.39
NAMPT P43490 2/20 0.39
MMP13 P45452 2/20 0.38
CYP17A1 P05093 2/20 0.37
CYP21A2 P08686 2/20 0.37
CYP11B1 P15538 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6787212 0.85 MMP2 (0.51) MMP2MMP9ADAM10MMP1MMP3
SCHEMBL6786580 0.82 ADAM10 (0.42) MMP2MMP9ADAM10MMP1MMP3
SCHEMBL6968740 0.82 MMP2 (0.41) MMP2MMP9ADAM10MMP1MMP3
SCHEMBL6783113 0.82 ADAMTS4 (0.43) MMP2MMP9ADAM10MMP1MMP3
SCHEMBL6967936 0.81 MMP2 (0.40) MMP2MMP9ADAM10MMP1MMP3
SCHEMBL7090534 0.79 ADAM10 (0.42) MMP2MMP9ADAM10MMP1MMP3
SCHEMBL6974852 0.79 ADAMTS4 (0.43) MMP2MMP9ADAM10MMP1MMP3
SCHEMBL6782094 0.72 CYP11B1 (0.44) HDAC6DYRK1AHDAC1CYP17A1CYP21A2
SCHEMBL942582 0.69 MMP13 (0.53) MMP13
SCHEMBL6787117 0.68 CYP11B1 (0.42) ADAMTS4DYRK1AMMP13CYP17A1CYP21A2

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-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 EP claimed