SCHEMBL7679385

SCHEMBL7679385

O=C(O)CC(NS(=O)(=O)c1ccccc1Br)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ITGAV P06756 3/20 0.37
CNR2 P34972 2/20 0.37
RECQL P46063 1/20 0.36
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
CASP1 P29466 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
DOT1L Q8TEK3 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
SCHEMBL7680008 0.93 ITGAV (0.43) ITGAVCNR2HDAC6MMP2MMP9
SCHEMBL7684007 0.90 CASP1 (0.45) ITGAVCNR2TP53MAPTCASP1
SCHEMBL7687226 0.90 ALDH1A1 (0.39) POLBITGAVCNR2MAPTCASP1
SCHEMBL7677159 0.90 CASP1 (0.41) ITGAVCNR2MMP9CASP1NPC1
SCHEMBL7678024 0.89 CNR2 (0.40) ITGAVCNR2RECQLMMP2MMP9
SCHEMBL7682355 0.89 CASP1 (0.40) ITGAVCNR2CASP1SLC1A3SLC1A2
SCHEMBL7686108 0.88 MMP2 (0.42) TP53MAPTMMP2MMP9
SCHEMBL7686355 0.88 MMP9 (0.44) CNR2MMP2MMP9
SCHEMBL7686530 0.87 MMP7 (0.40) ITGAVCNR2TP53MAPTNPC1
SCHEMBL7682575 0.87 ITGAV (0.43) ITGAVCNR2MAPTL3MBTL1DOT1L

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