SCHEMBL7684324

SCHEMBL7684324

CC(C)SC(=O)NC(CC(=O)O)C(=O)Cn1nnc(Sc2c(Cl)cccc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSA P10619 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP3 P42574 5/20 0.33
CASP6 P55212 4/20 0.33
CASP8 Q14790 4/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7679637 0.88 MAPT (0.34) MAPTHTTALDH1A1GAAPKM
SCHEMBL7683819 0.86 ALDH1A1 (0.35) MAPTHTTALDH1A1GAAPKM
SCHEMBL7681039 0.86 CASP1 (0.36) HTTPKMNPC1HPGDRAB9A
SCHEMBL7686539 0.85 CTSA (0.34) MAPTHTTALDH1A1GAAPKM
SCHEMBL7675970 0.85 CASP1 (0.36) HTTPKMNPC1HPGDRAB9A
SCHEMBL7684507 0.85 MTNR1A (0.33) MAPTHTTALDH1A1GAAPKM
SCHEMBL7683785 0.83 DGAT1 (0.33) MAPTALDH1A1CTSACASP3CASP6
SCHEMBL7684625 0.82 CASP1 (0.34) CTSAMEN1KMT2ACASP3TP53
SCHEMBL7684434 0.82 ALDH1A1 (0.37) ALDH1A1NPC1HPGDL3MBTL1CTSA
SCHEMBL7686996 0.82 CASP1 (0.39) MAPTALDH1A1CTSACASP3LMNA

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