SCHEMBL7410712

SCHEMBL7410712

COc1ccc(S(=O)(=O)c2c(Br)sc(N)c2C(=O)N(O)Cc2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.50
MMP13 P45452 12/20 0.50
MMP1 P03956 11/20 0.46
ADAM17 P78536 9/20 0.46
NAMPT P43490 1/20 0.46
MMP2 P08253 3/20 0.45
CLK1 P49759 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL7318036 0.83 NAMPT (0.46) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7418266 0.76 NAMPT (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7415784 0.76 NAMPT (0.53) MMP9MMP13MMP1NAMPTALDH1A1
SCHEMBL7410709 0.75 MMP9 (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7453152 0.71 MMP9 (0.62) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7322223 0.70 NAMPT (0.48) MMP9MMP13MMP1NAMPTMMP2
SCHEMBL7354595 0.70 MMP9 (0.48) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317439 0.69 MMP13 (0.49) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316608 0.69 MMP13 (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7310019 0.68 MMP13 (0.51) MMP9MMP13MMP1ADAM17NAMPT

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-5962481-A ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS; WOUND HEALING AGENTS;ANTIULCER AGENTS; ORAL DISEASES; CENTRAL NERVOUS SYTEM DISORDERS; ANTIINFLAMMATORY AGENTS; CONGESTIVE HEART FAILURE;VISION DISORDERS AMERICAN CYANAMID COMPANY (US) 1999-10-05 US disclosed