SCHEMBL7680405

SCHEMBL7680405

Cc1ncsc1CCOC(=O)NC(CC(=O)O)C(=O)Cn1nnnc1Sc1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.34
KMT2A Q03164 3/20 0.34
CASP3 P42574 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
NPC1 O15118 1/20 0.30
CTSA P10619 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7675912 0.88 MAPK1 (0.34) KMT2AALDH1A1MAPTCTSAMEN1
SCHEMBL7681919 0.86 CASP1 (0.38) CASP1KMT2ACASP3ALDH1A1NPC1
SCHEMBL7677980 0.86 CASP1 (0.34) CASP1KMT2ACASP3ALDH1A1MAPT
SCHEMBL7679421 0.85 CASP1 (0.43) CASP1KMT2ACASP3ALDH1A1MEN1
SCHEMBL7686197 0.84 CASP1 (0.37) CASP1KMT2ACASP3ALDH1A1NPC1
SCHEMBL7676849 0.84 CASP1 (0.38) CASP1KMT2ACASP3ALDH1A1MAPT
SCHEMBL8165543 0.83 CASP1 (0.35) CASP1KMT2ACASP3ALDH1A1NPC1
SCHEMBL7683990 0.83 CASP1 (0.40) CASP1CASP3
SCHEMBL7677095 0.82 CASP1 (0.36) CASP1CASP3CTSA
SCHEMBL7675762 0.82 CASP1 (0.37) CASP1KMT2ACASP3ALDH1A1PPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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