SCHEMBL7818102

SCHEMBL7818102

CC(=O)c1ccc2c(c1)OC(Br)C(Br)(C(=O)O)O2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
AKR1B1 P15121 1/20 0.39
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8581306 0.83 KDM4E (0.35) KDM4EAKR1B1POLBAPEX1RECQL
SCHEMBL9838859 0.71 KDM4E (0.42) KDM4EAKR1B1POLBAPEX1RECQL
SCHEMBL7153475 0.70 KDM4E (0.50) KDM4ECTNNB1WNT3ANPC1RAB9A
SCHEMBL7171872 0.70 KDM4E (0.50) KDM4EAKR1B1POLBAPEX1RECQL
SCHEMBL17567325 0.70 KDM4E (0.50) KDM4EAKR1B1CTNNB1WNT3ANPC1
SCHEMBL1347343 0.68 CTNNB1 (0.58) KDM4ERECQLCTNNB1WNT3ANPC1
SCHEMBL25745514 0.68 KDM4E (0.49) KDM4EAKR1B1POLBAPEX1RECQL
SCHEMBL31085181 0.68 KDM4E (0.49) KDM4EAKR1B1CTNNB1WNT3ANPC1
SCHEMBL1907961 0.68 KDM4E (0.49) KDM4EAKR1B1CTNNB1WNT3ANPC1
SCHEMBL6802218 0.67 KDM4E (0.38) KDM4EAKR1B1POLBAPEX1RECQL

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-0841337-B1 Substituted 7,12-dioxabenzo(a)anthracene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-09-05 EP disclosed
EP-0841337-A1 Substituted 7,12-dioxabenzo(a)anthracene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-05-13 EP disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed