SCHEMBL7685090

SCHEMBL7685090

O=C(O)CC(NC(=O)SCc1ccccc1)C(=O)Cn1nnc(Sc2c(Cl)ccc(Cl)c2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.37
CASP3 P42574 9/20 0.34
CASP8 Q14790 5/20 0.33
CASP7 P55210 3/20 0.33
TP53 P04637 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
SCHEMBL7681039 0.94 CASP1 (0.36) CASP1CASP3CASP8CASP7TP53
SCHEMBL7678033 0.92 CASP1 (0.36) CASP1CASP3TP53
SCHEMBL7686947 0.89 TP53 (0.37) CASP1CASP3CASP8CASP7TP53
SCHEMBL7684199 0.86 TP53 (0.34) CASP1CASP3CASP8CASP7TP53
SCHEMBL7682352 0.86 CASP1 (0.54) CASP1CASP3
SCHEMBL7675970 0.85 CASP1 (0.36) CASP1CASP3CASP8TP53
SCHEMBL7685546 0.83 CASP3 (0.38) CASP1CASP3CASP8CASP7TP53
SCHEMBL7684582 0.83 ALDH1A1 (0.37) CASP1CASP3CASP8CASP7TP53
SCHEMBL8176683 0.82 TP53 (0.36) CASP1CASP3CASP8CASP7TP53
SCHEMBL7678054 0.82 USP2 (0.35) CASP1CASP3TP53

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