SCHEMBL8210685

SCHEMBL8210685

NC(=O)CC1=NSc2ccccc2C=C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN4A P35499 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT1 P42224 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL27726764 0.86 AKR1B1 (0.37) LMNATSHRHPGDBCHEACHE
SCHEMBL26963016 0.72 LMNA (0.34) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL17701373 0.72
SCHEMBL5637462 0.70 TRPA1 (0.31)
SCHEMBL8197993 0.69 MAPT (0.37) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL6190907 0.69 LMNA (0.34) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL27306945 0.69
SCHEMBL9429035 0.69 TRPA1 (0.31)
SCHEMBL27996262 0.68 TRPA1 (0.32)
Hydrochloric Acid SCHEMBL8205122 0.68 LMNA (0.33) LMNATSHRMAPK1SCN4ASCN5A

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
CN-1252795-A 4, 1-benzoxazepine *, their analogs and their use as somatostatin agonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-05-10 CN disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed
CN-1133287-A Inhibitor for squalene synthetic enzyme PFIZER (US) 1996-10-16 CN disclosed