SCHEMBL1801064

SCHEMBL1801064

N=C(N)NCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.49
MMP13 P45452 4/20 0.49
MMP3 P08254 3/20 0.49
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
MMP9 P14780 6/20 0.47
BMP1 P13497 5/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ADAM10 O14672 1/20 0.46
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM8 P78325 1/20 0.46
ADAM17 P78536 1/20 0.46
ADAMTS4 O75173 1/20 0.45
MMP1 P03956 1/20 0.45
MMP7 P09237 1/20 0.45

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
SCHEMBL8358332 0.91 MMP2 (0.47) MMP2MMP13MMP3CA12CA1
SCHEMBL8358421 0.91 BMP1 (0.54) MMP2MMP13MMP3CA12CA1
SCHEMBL1799177 0.91 BMP1 (0.58) MMP2MMP13MMP3MMP9BMP1
SCHEMBL6472806 0.84 TARS1 (0.50) MMP2MMP13MMP3CA12CA1
SCHEMBL1800122 0.84 MMP2 (0.65) MMP2MMP13MMP3MMP9ITGB3
SCHEMBL1244355 0.83 ITGB3 (0.60) MMP2CA12CA2CA9MMP9
SCHEMBL3448321 0.83 MMP9 (0.58) MMP2MMP13MMP3MMP9ITGB3
SCHEMBL3448325 0.83 MMP9 (0.58) MMP2MMP13MMP3MMP9ITGB3
SCHEMBL12619409 0.83 MMP2 (0.54) MMP2MMP13MMP3MMP9BMP1
Hydrochloric Acid SCHEMBL7319933 0.82 ITGB3 (0.59) MMP2CA12CA2CA9MMP9

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
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed