SCHEMBL8087634

SCHEMBL8087634

NCC(NS(=O)(=O)c1sccc1Br)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.38
MMP9 P14780 10/20 0.38
MMP13 P45452 4/20 0.38
MMP1 P03956 3/20 0.38
MMP3 P08254 3/20 0.38
MMP7 P09237 3/20 0.38
ADAMTS4 O75173 2/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP8 P22894 1/20 0.35
POLB P06746 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8229612 0.75 CA1 (0.45) MMP2MMP9MMP13MMP1CA1
SCHEMBL16893908 0.72 EDNRA (0.35) MMP2MMP9MMP13MMP1CA1
SCHEMBL27518281 0.71 CA1 (0.36) MMP2MMP9MMP13MMP1MMP3
SCHEMBL383079 0.71 MMP2 (0.61) MMP2MMP9MMP13ADAMTS4SLC1A3
SCHEMBL6500230 0.71 MMP2 (0.61) MMP2MMP9MMP13ADAMTS4SLC1A3
Hydrochloric Acid SCHEMBL382133 0.70 MMP2 (0.59) MMP2MMP9MMP13ADAMTS4SLC1A3
Hydrochloric Acid SCHEMBL7336920 0.70 MMP2 (0.59) MMP2MMP9MMP13ADAMTS4SLC1A3
Trifluoroacetic Acid SCHEMBL7654076 0.69 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL8861400 0.68 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL14608753 0.68 MMP2 (0.53) MMP2MMP9MMP13MMP1MMP3

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