SCHEMBL7682355

SCHEMBL7682355

O=C(O)CC(NS(=O)(=O)c1cccc2ccccc12)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
ITGAV P06756 2/20 0.36
CNR2 P34972 2/20 0.36
F2 P00734 4/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NTSR1 P30989 1/20 0.35
TSHR P16473 1/20 0.35
F10 P00742 1/20 0.34

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
SCHEMBL7680008 0.92 ITGAV (0.43) CASP1SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL7684007 0.90 CASP1 (0.45) CASP1SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL7679385 0.89 POLB (0.39) CASP1SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL7687226 0.89 ALDH1A1 (0.39) CASP1SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL7677159 0.89 CASP1 (0.41) CASP1SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL7678024 0.89 CNR2 (0.40) ITGAVCNR2ITGB3
SCHEMBL7680269 0.88 EDNRA (0.40) F2
SCHEMBL7679356 0.88 GAA (0.41) ITGAVITGB3NTSR1TSHR
SCHEMBL7686355 0.87 MMP9 (0.44) CNR2
SCHEMBL7686530 0.87 MMP7 (0.40) ITGAVCNR2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed