SCHEMBL7677083

SCHEMBL7677083

NCCS(=O)(=O)NC(CC(=O)O)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DOT1L Q8TEK3 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 3/20 0.31
THRB P10828 1/20 0.31
CASP1 P29466 1/20 0.31
USP2 O75604 1/20 0.30
PKM P14618 1/20 0.30
TP53 P04637 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL7679743 0.89 CNR2 (0.37) CNR2
SCHEMBL7685555 0.88 CNR2 (0.36) CNR2
SCHEMBL7682345 0.88 CASP1 (0.40) CNR2DOT1LHDAC6NPC1HPGD
SCHEMBL7679645 0.87 CNR2 (0.40) CNR2MEN1KMT2ADOT1LHDAC6
SCHEMBL8171963 0.87 CNR2 (0.36) CNR2MEN1KMT2ADOT1LNPC1
Hydrochloric Acid SCHEMBL7688999 0.86 CNR2 (0.35) CNR2MEN1KMT2ADOT1LNPC1
SCHEMBL7678024 0.86 CNR2 (0.40) CNR2
SCHEMBL7675723 0.85 CASP1 (0.43) CNR2MEN1KMT2ADOT1LNPC1
SCHEMBL7686379 0.85 MEN1 (0.37) CNR2MEN1KMT2ADOT1LHPGD
SCHEMBL7682261 0.85 ALDH1A1 (0.37) 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