SCHEMBL7837396

SCHEMBL7837396

CCCCC(CCCC)(CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)S(=O)(=O)c1ccc(N(C)C)cc1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
CNR1 P21554 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CXCR3 P49682 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL7845845 0.91 KMT2A (0.34) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7838190 0.87 LMNA (0.41) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7846309 0.83 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7837573 0.83 ENPP1 (0.33) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7848483 0.79 LMNA (0.37) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7848425 0.76 CNR2 (0.33) CNR1MEN1KMT2A
SCHEMBL7848445 0.76 SLC10A2 (0.35) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7837753 0.75 CYP19A1 (0.31) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL7845064 0.74 ALDH1A1 (0.37) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7846525 0.73 CNR2 (0.40) LMNAALDH1A1CNR1NPSR1CXCR3

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