SCHEMBL3246370

SCHEMBL3246370

O=C(NCC1CC1)c1cccc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HDAC6 Q9UBN7 3/20 0.56
POLB P06746 1/20 0.54
MAPK14 Q16539 2/20 0.51
TP53BP1 Q12888 1/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
F10 P00742 1/20 0.50
PRSS1 P07477 1/20 0.50
KDM1A O60341 1/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL20888437 0.82 MEN1 (0.60) MEN1KMT2AHDAC6POLBMAPK14
SCHEMBL28871861 0.81 F10 (0.60) MEN1KMT2AHDAC6POLBMAPK14
SCHEMBL30450738 0.81 MEN1 (0.86) MEN1KMT2AHDAC6POLBMAPK14
SCHEMBL18175993 0.81 MEN1 (0.59) MEN1KMT2AHDAC6POLBMAPK14
SCHEMBL8297087 0.81 HPGD (0.65) MEN1KMT2AHDAC6POLBMAPK14
SCHEMBL29032735 0.81 MEN1 (0.86) MEN1KMT2AHDAC6POLBMAPK14
SCHEMBL10722330 0.81 MEN1 (0.81) MEN1KMT2AHDAC6POLBHDAC1
SCHEMBL3262619 0.80 MAPK14 (0.56) MEN1KMT2AHDAC6MAPK14HDAC1
SCHEMBL31331640 0.80 MEN1 (0.71) MEN1KMT2AHDAC6POLBMAPK14
SCHEMBL2303341 0.80 HDAC3 (0.64) MEN1KMT2AHDAC6MAPK14HDAC1

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-2186516-B1 Novel benzazepine derivative GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2186516-A1 Novel benzazepine derivative Glaxo Group Limited (GB) 2010-05-19 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
EP-1572215-B1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
CN-1326838-C Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2007-07-18 CN disclosed