SCHEMBL1669949

SCHEMBL1669949

O=C(N/N=C/Cc1cc(Br)c(O)c(Br)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
CASP3 P42574 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
HTT P42858 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
HDAC8 Q9BY41 1/20 0.51
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SIRT1 Q96EB6 2/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ASF1A Q9Y294 2/20 0.46
POLB P06746 2/20 0.45

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
SCHEMBL1669458 0.87 MEN1 (0.53) MAPTCASP3SENP7HTTCYP1A2
SCHEMBL1670113 0.83 MAPT (0.70) MAPTCASP3SENP7HTTCYP1A2
SCHEMBL1670110 0.83 MAPT (0.70) MAPTCASP3SENP7HTTCYP1A2
SCHEMBL1669310 0.79 MAPT (0.53) MAPTCASP3SENP7HTTCYP1A2
SCHEMBL4912974 0.78 HDAC8 (0.51) MAPTCASP3SENP7HTTCYP1A2
SCHEMBL4912976 0.78 HDAC8 (0.51) MAPTCASP3SENP7HTTCYP1A2
SCHEMBL1669309 0.78 HDAC8 (0.51) MAPTCASP3SENP7HTTCYP1A2
SCHEMBL1669426 0.78 MEN1 (0.57) MAPTCASP3SENP7HTTCYP1A2
SCHEMBL1669429 0.78 MEN1 (0.57) MAPTCASP3SENP7HTTCYP1A2
SCHEMBL1669397 0.78 MEN1 (0.63) MAPTCASP3SENP7HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP claimed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 WO claimed
EP-2490696-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2012-08-29 EP disclosed
WO-2011048070-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-04-28 WO disclosed
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 WO disclosed