SCHEMBL6157584

SCHEMBL6157584

[O]CC(=O)NCc1ccccc1C(=O)NCCc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.43
KCNA3 P22001 2/20 0.42
KCNK3 O14649 1/20 0.42
SLC6A5 Q9Y345 8/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SIRT1 Q96EB6 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9224574 0.78 ALDH1A1 (0.48) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL2668067 0.78 HPGD (0.52) KCNA5MEN1KMT2ANPC1RAB9A
SCHEMBL12305723 0.76 MEN1 (0.43) KCNA5KCNA3MEN1KMT2AL3MBTL1
SCHEMBL6264342 0.76 HPGD (0.49) SLC6A5MEN1KMT2AL3MBTL1
SCHEMBL12305557 0.75 ESRRG (0.43) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL1300262 0.75 MAPT (0.52) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL21820359 0.73 RAB9A (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL6156056 0.73 SLC6A5 (0.47) SLC6A5NPC1RAB9A
SCHEMBL19051492 0.72 KMT2A (0.56) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL17481130 0.71 HDAC2 (0.49) MEN1KMT2ANPC1RAB9AL3MBTL1

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-1597245-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES AstraZeneca AB (SE) 2005-11-23 EP disclosed
EP-1501813-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2004076430-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-10 WO disclosed
WO-2003091232-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-11-06 WO disclosed