SCHEMBL7686815

SCHEMBL7686815

O=C(O)CC(NC(=O)CSc1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.40
CNR2 P34972 2/20 0.38
CASP1 P29466 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7683594 0.85 CNR2 (0.40) CASP3CNR2CASP1TP53HDAC6
SCHEMBL7679948 0.84 HDAC6 (0.42) CASP3CNR2CASP1L3MBTL1POLB
SCHEMBL7682121 0.84 CASP1 (0.42) CASP3CNR2CASP1POLBMEN1
SCHEMBL7681033 0.83 CNR2 (0.40) CASP3CNR2CASP1L3MBTL1NPC1
SCHEMBL7675812 0.82 CNR2 (0.40) CASP3CNR2CASP1L3MBTL1NPC1
SCHEMBL7680872 0.81 CASP1 (0.49) CASP3CNR2CASP1
SCHEMBL7683929 0.80 CASP1 (0.58) CASP3CASP1
SCHEMBL7686874 0.80 MMP13 (0.39) CNR2ALDH1A1
SCHEMBL7681021 0.80 CNR2 (0.38) CASP3CNR2CASP1TP53HDAC6
SCHEMBL7678024 0.80 CNR2 (0.40) CNR2ALDH1A1

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