SCHEMBL6264342

SCHEMBL6264342

[O]CC(=O)NCc1ccccc1C(=O)NCCO

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SLC6A5 Q9Y345 6/20 0.43
MEN1 O00255 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL6266482 0.80 KMT2A (0.43) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL22515531 0.79 HTT (0.56) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL6156056 0.79 SLC6A5 (0.47) SLC6A5
SCHEMBL8894839 0.78 ALDH1A1 (0.62) LMNAHTTALDH1A1KDM4EMAPT
SCHEMBL6267497 0.78 HPGD (0.51) HPGDLMNAALDH1A1KDM4ESLC6A5
SCHEMBL6156971 0.78 MAPK8 (0.43) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL6267859 0.77 HPGD (0.47) HPGDGAAALDH1A1KDM4EMEN1
SCHEMBL6156568 0.76 CA1 (0.64) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL6157584 0.76 KCNA5 (0.43) L3MBTL1SLC6A5MEN1KMT2A
SCHEMBL6158947 0.75 KCNA5 (0.42) HPGDL3MBTL1LMNAGAAHTT

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 2 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
WO-2004076430-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-10 WO disclosed