SCHEMBL7363680

SCHEMBL7363680

O=C(NO)C1(CS(=O)(=O)c2ccc(OCc3cccc4cnccc34)cc2)CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.55
MMP13 P45452 11/20 0.55
MMP2 P08253 9/20 0.55
MMP1 P03956 5/20 0.46
MMP14 P50281 4/20 0.45
MMP9 P14780 2/20 0.45
MMP3 P08254 1/20 0.43
MMP10 P09238 1/20 0.43

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
SCHEMBL7355311 0.90 MMP13 (0.54) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7427244 0.86 ADAM17 (0.42) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7424285 0.85 ADAM17 (0.43) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7354772 0.85 ADAM17 (0.58) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7427223 0.85 ADAM17 (0.42) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7424174 0.83 ADAM17 (0.40) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7362510 0.82 ADAM17 (0.58) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7951099 0.79 ADAM17 (0.46) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7363686 0.78 ADAM17 (0.41) ADAM17MMP13MMP2MMP1MMP3
SCHEMBL7356665 0.75 ADAM17 (0.56) ADAM17MMP13MMP2MMP1MMP14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268379-B1 Substituted aryl hydroxamic acids as metalloproteinase inhibitors DUPONT PHARMACEUTICALS COMPANY 2001-07-31 US claimed
EP-1077974-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-02-28 EP claimed
WO-1999058528-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY. (US) 1999-11-18 WO claimed
US-6268379-B1 Substituted aryl hydroxamic acids as metalloproteinase inhibitors DUPONT PHARMACEUTICALS COMPANY 2001-07-31 US disclosed