SCHEMBL7682055

SCHEMBL7682055

O=C(O)CC(NS(=O)(=O)c1ccccc1Oc1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
ICMT O60725 1/20 0.37
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.36
DOT1L Q8TEK3 1/20 0.36

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
SCHEMBL7682575 0.91 ITGAV (0.43) MAPTL3MBTL1CNR2DOT1L
SCHEMBL7680008 0.90 ITGAV (0.43) CASP1L3MBTL1CNR2DOT1L
SCHEMBL7685476 0.89 MMP2 (0.42) POLBMAPTL3MBTL1CNR2
SCHEMBL7684007 0.88 CASP1 (0.45) CASP1MAPTL3MBTL1CNR2DOT1L
SCHEMBL7687226 0.87 ALDH1A1 (0.39) CASP1POLBMAPTL3MBTL1CNR2
SCHEMBL7677159 0.87 CASP1 (0.41) CASP1L3MBTL1CNR2
SCHEMBL7679385 0.87 POLB (0.39) CASP1POLBMAPTL3MBTL1CNR2
SCHEMBL7678024 0.86 CNR2 (0.40) CNR2
SCHEMBL7682355 0.86 CASP1 (0.40) CASP1CNR2
SCHEMBL7686355 0.85 MMP9 (0.44) CNR2

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