SCHEMBL7684199

SCHEMBL7684199

CN(C)c1cc(Cl)c(Sc2nnn(CC(=O)C(CC(=O)O)NC(=O)SCc3ccccc3)n2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
CASP3 P42574 11/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP8 Q14790 8/20 0.32
CASP1 P29466 6/20 0.32
CASP7 P55210 6/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
CTSA P10619 1/20 0.32
GRIN2B Q13224 1/20 0.32
CASP2 P42575 1/20 0.31
CASP4 P49662 1/20 0.31
CASP5 P51878 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL7680236 0.93 TP53 (0.33) TP53CASP3MEN1KMT2ACASP1
SCHEMBL8176683 0.92 TP53 (0.36) TP53CASP3MEN1KMT2ACASP8
Hydrochloric Acid SCHEMBL7689556 0.91 TP53 (0.36) TP53CASP3MEN1KMT2ACASP8
SCHEMBL7686947 0.91 TP53 (0.37) TP53CASP3MEN1KMT2ACASP8
SCHEMBL7681039 0.89 CASP1 (0.36) TP53CASP3MEN1KMT2ACASP8
SCHEMBL8172541 0.87 CASP1 (0.45) CASP3CASP1
Hydrochloric Acid SCHEMBL7696916 0.86 CASP1 (0.44) CASP3CASP1
SCHEMBL7685090 0.86 CASP1 (0.37) TP53CASP3CASP8CASP1CASP7
SCHEMBL7683738 0.85 ALDH1A1 (0.36) CASP3MEN1KMT2ACASP8CASP1
SCHEMBL7679529 0.83 TP53 (0.36) TP53CASP3MEN1KMT2ACASP1

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