SCHEMBL6296172

SCHEMBL6296172

O=C(NO)[C@H]1CCS(=O)(=O)N1Cc1ccccc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.71
MMP9 P14780 7/20 0.71
MMP13 P45452 6/20 0.71
MMP1 P03956 5/20 0.54
CAPN1 P07384 1/20 0.49
ADAM17 P78536 4/20 0.48
P2RX7 Q99572 4/20 0.47
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6296122 0.76 MMP2 (0.86) MMP2MMP9MMP13MMP1CAPN1
SCHEMBL6291476 0.75 MMP2 (0.77) MMP2MMP9MMP13MMP1CAPN1
SCHEMBL6291475 0.75 MMP2 (0.77) MMP2MMP9MMP13MMP1CAPN1
SCHEMBL6292544 0.74 MMP2 (1.00) MMP2MMP9MMP13MMP1ADAM17
SCHEMBL6296107 0.70 MMP2 (0.72) MMP2MMP9MMP13MMP1CAPN1
SCHEMBL6296108 0.70 MMP2 (0.72) MMP2MMP9MMP13MMP1CAPN1
SCHEMBL6292540 0.69 MMP2 (0.73) MMP2MMP9MMP13MMP1CAPN1
SCHEMBL6296092 0.67 MMP1 (1.00) MMP2MMP9MMP13MMP1CAPN1
SCHEMBL288851 0.66 CAPN1 (1.00) MMP2MMP9MMP13MMP1CAPN1
SCHEMBL289202 0.66 CAPN1 (1.00) MMP2MMP9MMP13MMP1CAPN1

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-6927216-B2 Cyclic sulfonyl compounds as inhibitors of metalloproteases BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-08-09 US claimed