SCHEMBL7845849

SCHEMBL7845849

CCCCC(CCCCN(C)S(=O)(=O)c1ccc(N(C)C)cc1Cc1cccc([N+](=O)[O-])c1)CO[Si](C)(C)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7837398 0.92 ALDH1A1 (0.36) MAPK1CYP19A1CYP1A2CYP2D6CYP2C9
SCHEMBL7837576 0.88 TBXA2R (0.32) CYP19A1CYP1A2CYP2C19
SCHEMBL7848884 0.85 CNR2 (0.35)
SCHEMBL7848868 0.82 SMN1; SMN2 (0.33) MAPK1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7837753 0.82 CYP19A1 (0.31) MAPK1CYP19A1
SCHEMBL7845258 0.79 L3MBTL1 (0.41) MAPK1
SCHEMBL7838193 0.77 ALDH1A1 (0.41) MAPK1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7849223 0.75 SLC10A2 (0.35) MAPK1CYP19A1CYP1A2CYP2D6CYP2C9
SCHEMBL7846313 0.74 ALDH1A1 (0.39) MAPK1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7850479 0.73 NPSR1 (0.36) MAPK1CYP19A1CYP1A2CYP2D6CYP2C9

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