SCHEMBL7837576

SCHEMBL7837576

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP19A1 P11511 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAOA P21397 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7845849 0.88 MAPK1 (0.32) CYP1A2CYP2C19CYP19A1
SCHEMBL7837398 0.86 ALDH1A1 (0.36) CYP1A2CYP2C19CYP19A1MEN1KMT2A
SCHEMBL7845581 0.86 ALDH1A1 (0.34) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7846879 0.85 CA1 (0.38) TBXA2RPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL7848540 0.83 TBXA2R (0.37) TBXA2RPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL7845066 0.82 CYP1A2 (0.36) TBXA2RPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL7845258 0.73 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL7845061 0.72 BAZ1A (0.36) TBXA2RCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7837573 0.72 ENPP1 (0.33) CYP1A2CYP3A4CYP2C19CYP19A1MEN1
SCHEMBL7849223 0.71 SLC10A2 (0.35) TBXA2RCYP1A2CYP2C19CYP19A1KMT2A

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