SCHEMBL7367272

SCHEMBL7367272

COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(N)=O)C(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.64
MMP2 P08253 13/20 0.64
ADAMTS4 O75173 1/20 0.64
MMP13 P45452 13/20 0.62
MMP8 P22894 10/20 0.62
ALDH1A1 P00352 1/20 0.52
MMP1 P03956 2/20 0.51
ADAM17 P78536 2/20 0.51

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
Hydrochloric Acid SCHEMBL6379949 0.99 MMP9 (0.63) MMP9MMP2ADAMTS4MMP13MMP8
SCHEMBL5097962 0.91 ADAMTS4 (0.77) MMP9MMP2ADAMTS4MMP13MMP8
SCHEMBL11956306 0.91 ADAMTS4 (0.77) MMP9MMP2ADAMTS4MMP13MMP8
SCHEMBL10118180 0.90 MMP9 (0.65) MMP9MMP2ADAMTS4MMP13MMP8
SCHEMBL7372375 0.90 MMP9 (0.66) MMP9MMP2ADAMTS4MMP13MMP8
Hydrochloric Acid SCHEMBL7347875 0.90 ADAMTS4 (0.76) MMP9MMP2ADAMTS4MMP13MMP8
Hydrochloric Acid SCHEMBL5213017 0.90 ADAMTS4 (0.76) MMP9MMP2ADAMTS4MMP13MMP8
Hydrochloric Acid SCHEMBL7343718 0.89 MMP9 (0.66) MMP9MMP2ADAMTS4MMP13MMP8
Hydrochloric Acid SCHEMBL7343724 0.89 MMP9 (0.66) MMP9MMP2ADAMTS4MMP13MMP8
SCHEMBL13253256 0.88 MMP9 (0.80) MMP9MMP2ADAMTS4MMP13MMP8

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
EP-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed