SCHEMBL7326411

SCHEMBL7326411

CC1NCCN(S(=O)(=O)c2ccc(OCC#Cc3ccccc3)cc2)C1C(=O)NO

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.74
MMP1 P03956 17/20 0.74
MMP13 P45452 15/20 0.74
MMP9 P14780 5/20 0.55
MMP3 P08254 2/20 0.51

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
SCHEMBL7321971 0.89 ADAM17 (0.70) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7327430 0.88 ADAM17 (0.69) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7320672 0.88 MMP1 (0.69) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7320937 0.86 ADAM17 (0.67) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7317562 0.86 ADAM17 (0.66) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7323792 0.86 ADAM17 (0.66) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6237887 0.85 ADAM17 (1.00) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6382134 0.85 ADAM17 (1.00) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7325506 0.85 ADAM17 (0.65) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7318057 0.85 MMP13 (0.60) ADAM17MMP1MMP13MMP9MMP3

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-6387901-B1 ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS PFIZER INC 2002-05-14 US disclosed