SCHEMBL8091795

SCHEMBL8091795

N#Cc1ccc(S(=O)(=O)NC(CN)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.56
MMP9 P14780 11/20 0.56
MMP13 P45452 8/20 0.56
MMP3 P08254 5/20 0.56
MMP1 P03956 4/20 0.56
MMP7 P09237 4/20 0.56
EEF2K O00418 3/20 0.55
ADAMTS4 O75173 3/20 0.48

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
SCHEMBL7374552 0.83 MMP13 (0.64) MMP2MMP9MMP13MMP3MMP1
SCHEMBL6500230 0.82 MMP2 (0.61) MMP2MMP9MMP13ADAMTS4
SCHEMBL383079 0.82 MMP2 (0.61) MMP2MMP9MMP13ADAMTS4
SCHEMBL7375346 0.81 SLC1A3 (0.60) MMP2MMP9MMP13MMP3MMP1
SCHEMBL4041728 0.81 TDP1 (0.63) MMP2MMP9MMP13MMP3MMP1
SCHEMBL7370003 0.81 MMP2 (0.72) MMP2MMP9MMP13MMP3MMP1
SCHEMBL7337519 0.81 TDP1 (0.63) MMP2MMP9MMP13MMP3MMP1
SCHEMBL8091793 0.81 MMP2 (0.63) MMP2MMP9MMP13MMP3MMP1
SCHEMBL14608753 0.81 MMP2 (0.53) MMP2MMP9MMP13MMP3MMP1
SCHEMBL3861153 0.81 MMP2 (0.53) MMP2MMP9MMP13MMP3MMP1

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-1051625-A1 ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES Du Pont Pharmaceuticals Company (US) 2000-11-15 EP disclosed
WO-1999038014-A1 ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-29 WO disclosed