SCHEMBL7848445

SCHEMBL7848445

CCCCC(C=O)(CCCC)N(C)S(=O)(=O)c1ccc(N(C)C)cc1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
CDC25C P30307 2/20 0.33
MAPK1 P28482 1/20 0.33
PYCR1 P32322 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
CNR1 P21554 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ENPP1 P22413 1/20 0.33

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
SCHEMBL7846309 0.89 CYP1A2 (0.40) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL7848483 0.86 LMNA (0.37) SLC10A2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL7845064 0.84 ALDH1A1 (0.37) SLC10A2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL7845845 0.81 KMT2A (0.34) SLC10A2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL7837755 0.81 CNR2 (0.35) SLC10A2CNR1
SCHEMBL7850479 0.80 NPSR1 (0.36) SLC10A2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL7838190 0.80 LMNA (0.41) SLC10A2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL7846878 0.78 CYP1A2 (0.36) SLC10A2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL7848868 0.78 SMN1; SMN2 (0.33) SLC10A2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL7849223 0.77 SLC10A2 (0.35) SLC10A2CYP1A2CYP2C19CYP2D6CYP2C9

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