SCHEMBL7684007

SCHEMBL7684007

O=C(O)CC(NS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.45
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGAV P06756 3/20 0.38
CNR2 P34972 2/20 0.37
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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 0.94 ITGAV (0.43) CASP1NPC1HPGDRAB9AL3MBTL1
SCHEMBL7679385 0.90 POLB (0.39) CASP1NPC1HPGDRAB9AL3MBTL1
SCHEMBL7687226 0.90 ALDH1A1 (0.39) CASP1NPC1HPGDRAB9AL3MBTL1
SCHEMBL7677159 0.90 CASP1 (0.41) CASP1NPC1HPGDRAB9AL3MBTL1
SCHEMBL7678024 0.90 CNR2 (0.40) ITGAVCNR2ALDH1A1
SCHEMBL7682355 0.90 CASP1 (0.40) CASP1ITGAVCNR2SLC1A3SLC1A2
SCHEMBL7686355 0.88 MMP9 (0.44) CNR2
SCHEMBL7682575 0.88 ITGAV (0.43) L3MBTL1ITGAVCNR2MAPTSMN1; SMN2
SCHEMBL7686530 0.88 MMP7 (0.40) NPC1HPGDRAB9AL3MBTL1ITGAV
SCHEMBL7682055 0.88 CASP1 (0.41) CASP1L3MBTL1CNR2MAPTDOT1L

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