SCHEMBL8171963

SCHEMBL8171963

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 4/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DOT1L Q8TEK3 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 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
Hydrochloric Acid SCHEMBL7688999 0.99 CNR2 (0.35) CNR2NPC1HPGDRAB9AL3MBTL1
SCHEMBL7679743 0.89 CNR2 (0.37) CNR2
SCHEMBL7685555 0.87 CNR2 (0.36) CNR2
SCHEMBL7677083 0.87 CNR2 (0.36) CNR2NPC1HPGDRAB9AL3MBTL1
SCHEMBL7682345 0.84 CASP1 (0.40) CNR2NPC1HPGDRAB9AL3MBTL1
SCHEMBL7679645 0.84 CNR2 (0.40) CNR2NPC1HPGDRAB9AL3MBTL1
SCHEMBL8166004 0.83 DOT1L (0.32) ALDH1A1MEN1KMT2ADOT1L
Hydrochloric Acid SCHEMBL7697785 0.83 DOT1L (0.32) ALDH1A1MEN1KMT2ADOT1L
SCHEMBL7678024 0.82 CNR2 (0.40) CNR2ALDH1A1
SCHEMBL7675723 0.81 CASP1 (0.43) CNR2NPC1RAB9ASMN1; SMN2MEN1

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
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-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