SCHEMBL7418266

SCHEMBL7418266

COC(=O)c1c(NCc2cccnc2)sc(Br)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.53
MMP9 P14780 3/20 0.51
MMP13 P45452 3/20 0.51
MMP1 P03956 2/20 0.51
ADAM17 P78536 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL7415784 0.93 NAMPT (0.53) NAMPTMMP9MMP13MMP1GAA
SCHEMBL7410709 0.92 MMP9 (0.52) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7314523 0.80 NAMPT (0.55) NAMPTMMP9MMP13MMP1GAA
SCHEMBL7318935 0.77 MMP9 (0.53) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7316583 0.76 NAMPT (0.53) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7317524 0.76 NAMPT (0.53) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7410712 0.76 MMP9 (0.50) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7316220 0.74 NAMPT (0.53) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7322218 0.74 NAMPT (0.55) NAMPTMMP9MMP13MMP1GAA
SCHEMBL7319361 0.74 MMP9 (0.56) NAMPTMMP9MMP13MMP1ADAM17

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