SCHEMBL7685686

SCHEMBL7685686

O=C(O)CC(NS(=O)(=O)NCc1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
HDAC6 Q9UBN7 1/20 0.37
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA9 Q16790 1/20 0.36
CASP1 P29466 1/20 0.35
DOT1L Q8TEK3 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7679645 0.88 CNR2 (0.40) CNR2HDAC6CASP1DOT1LMMP2
SCHEMBL7678024 0.86 CNR2 (0.40) CNR2MMP2MMP9ALDH1A1
SCHEMBL7686355 0.85 MMP9 (0.44) CNR2MMP2MMP9
SCHEMBL7680008 0.85 ITGAV (0.43) CNR2HDAC6CASP1DOT1LMMP2
SCHEMBL7682345 0.84 CASP1 (0.40) CNR2HDAC6CASP1DOT1LMMP2
SCHEMBL7687017 0.83 MMP2 (0.39) CNR2MMP2MMP9ALDH1A1
SCHEMBL7683595 0.83 MMP2 (0.44) DOT1LMMP2MMP9ALDH1A1
SCHEMBL7684007 0.82 CASP1 (0.45) CNR2CASP1DOT1LNPC1HPGD
SCHEMBL7683710 0.82 ITGB3 (0.42) CNR2MMP2MMP9
SCHEMBL7677083 0.82 CNR2 (0.36) CNR2HDAC6CASP1DOT1LCA2

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