SCHEMBL7837573

SCHEMBL7837573

CCCCC(CCCC)(CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccc(N(C)C)cc1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 4/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP19A1 P11511 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
SLC10A2 Q12908 2/20 0.31

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
SCHEMBL7846878 0.86 CYP1A2 (0.36) ENPP1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL7845845 0.85 KMT2A (0.34) ENPP1CYP1A2CYP2C19MAPTLMNA
SCHEMBL7845578 0.84 ACHE (0.31) MAPTLMNAKMT2AMEN1HTT
SCHEMBL7837396 0.83 CYP1A2 (0.36) CYP1A2CYP2C19MAPTLMNAKMT2A
SCHEMBL7845064 0.82 ALDH1A1 (0.37) CYP1A2CYP2C19CYP3A4MAPTLMNA
SCHEMBL7848483 0.74 LMNA (0.37) CYP1A2CYP2C19CYP3A4MAPTLMNA
SCHEMBL7848445 0.74 SLC10A2 (0.35) ENPP1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL7837753 0.74 CYP19A1 (0.31) ENPP1MAPTLMNAKMT2AHTT
SCHEMBL7846693 0.73 LIMK1 (0.33) MAPTLMNAKMT2AMEN1HTT
SCHEMBL7837576 0.72 TBXA2R (0.32) CYP1A2CYP2C19CYP3A4MAPTKMT2A

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-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP disclosed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO disclosed