SCHEMBL7679609

SCHEMBL7679609

O=C(O)CC(NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.44
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
CASP3 P42574 2/20 0.40
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
KAT2B Q92831 1/20 0.37
CNR2 P34972 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7683929 0.86 CASP1 (0.58) CASP1CASP3
SCHEMBL7682345 0.86 CASP1 (0.40) CASP1MMP2MMP9CNR2
SCHEMBL7679645 0.85 CNR2 (0.40) CASP1MMP2MMP9CNR2
SCHEMBL7677083 0.84 CNR2 (0.36) CASP1CNR2
SCHEMBL7679743 0.82 CNR2 (0.37) CNR2
SCHEMBL7679754 0.81 CASP1 (0.51) CASP1CASP3CNR2
SCHEMBL7679078 0.81 CASP1 (0.54) CASP1CASP3
SCHEMBL7678024 0.81 CNR2 (0.40) MMP2MMP9MMP13CNR2ALDH1A1
SCHEMBL7683989 0.81 CASP1 (0.51) CASP1CASP3CNR2
SCHEMBL7685555 0.81 CNR2 (0.36) 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