SCHEMBL4407327

SCHEMBL4407327

CC(=O)Nc1ccc(-c2cnc(Cl)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
HPGD P15428 5/20 0.54
RXFP1 Q9HBX9 2/20 0.54
GAA P10253 3/20 0.54
POLB P06746 2/20 0.54
PRNP P04156 1/20 0.54
NPSR1 Q6W5P4 1/20 0.49
CYP2C19 P33261 1/20 0.49
STAT3 P40763 1/20 0.48
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL20936807 0.81 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL20937165 0.80 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL15533892 0.77 KDM4E (0.56) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL5629234 0.76 KCNQ3 (0.60) SMN1; SMN2L3MBTL1HTTALDH1A1RAB9A
SCHEMBL1742541 0.76 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL3712178 0.76 KMT2A (0.59) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL31056870 0.75 ALDH1A1 (0.48) SMN1; SMN2L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL29324953 0.75 ALDH1A1 (0.48) SMN1; SMN2L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL22445716 0.74 LDHA (0.61) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL4393221 0.74 MEN1 (0.73) SMN1; SMN2L3MBTL1HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
CN-1326838-C Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2007-07-18 CN disclosed
CN-1726042-A Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2006-01-25 CN disclosed