SCHEMBL7679645

SCHEMBL7679645

O=C(O)CC(NS(=O)(=O)Cc1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
HDAC6 Q9UBN7 1/20 0.38
CASP1 P29466 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGAV P06756 1/20 0.35
DOT1L Q8TEK3 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
ITGA2B P08514 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TMPRSS11D O60235 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7682345 0.90 CASP1 (0.40) CNR2HDAC6CASP1DOT1LMMP2
SCHEMBL7678024 0.88 CNR2 (0.40) CNR2ITGB3ITGAVMMP2MMP9
SCHEMBL7685686 0.88 CNR2 (0.39) CNR2HDAC6CASP1DOT1LMEN1
SCHEMBL7677083 0.87 CNR2 (0.36) CNR2HDAC6CASP1DOT1LMEN1
SCHEMBL7680008 0.86 ITGAV (0.43) CNR2HDAC6CASP1SLC1A3SLC1A2
SCHEMBL7686355 0.86 MMP9 (0.44) CNR2MMP2MMP9ADAMTS5
SCHEMBL7679743 0.86 CNR2 (0.37) CNR2ITGB3ITGA2B
SCHEMBL7679609 0.85 CASP1 (0.44) CNR2CASP1MMP2MMP9
SCHEMBL7687017 0.85 MMP2 (0.39) CNR2MMP2MMP9ADAMTS5
SCHEMBL7683595 0.84 MMP2 (0.44) DOT1LMMP2MMP9ADAMTS5

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