SCHEMBL6557685

SCHEMBL6557685

CCOC(=O)c1cnc(-c2cccs2)n(CC(OCC)OCC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
RECQL P46063 2/20 0.47
FOS P01100 2/20 0.46
JUN P05412 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
PKM P14618 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 7/20 0.42
GLA P06280 3/20 0.42
ELANE P08246 1/20 0.41
CASP1 P29466 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL7291734 0.92 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL6558359 0.91 ERCC1 (0.42) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL6558284 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10NFKB1
SCHEMBL6556112 0.82 CSNK1D (0.45) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL6558338 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL6558388 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL7293593 0.80 ERCC1 (0.44) KDM4EALDH1A1HPGDHSD17B10FOS
SCHEMBL6558246 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL6558390 0.79 NPC1 (0.46) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL6556171 0.79 GAA (0.45) KDM4EALDH1A1HPGDHSD17B10RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed