SCHEMBL1669458

SCHEMBL1669458

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CASP3 P42574 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
HDAC8 Q9BY41 2/20 0.48
NPC1 O15118 2/20 0.46
ASF1A Q9Y294 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1669949 0.87 MAPT (0.54) MEN1KMT2ACASP3SENP7SENP8
SCHEMBL1669378 0.83 KMT2A (0.68) MEN1KMT2ACASP3SENP7SENP8
SCHEMBL1669374 0.83 KMT2A (0.68) MEN1KMT2ACASP3SENP7SENP8
SCHEMBL685144 0.78 MEN1 (0.60) MEN1KMT2ACASP3SENP7SENP8
SCHEMBL4907788 0.77 HDAC8 (0.52) MEN1KMT2ACASP3SENP7SENP8
SCHEMBL4907770 0.77 HDAC8 (0.52) MEN1KMT2ACASP3SENP7SENP8
SCHEMBL4907784 0.77 HDAC8 (0.52) MEN1KMT2ACASP3SENP7SENP8
SCHEMBL1669601 0.77 MAPT (0.64) MEN1KMT2ACASP3SENP7SENP8
SCHEMBL1669598 0.77 MAPT (0.64) MEN1KMT2ACASP3SENP7SENP8
SCHEMBL5809153 0.75 GCGR (0.48) MAPTNPC1SPHK2SPHK1RAB9A

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