SCHEMBL7848540

SCHEMBL7848540

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.35
CDC25C P30307 1/20 0.35
BAZ1A Q9NRL2 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7846879 0.91 CA1 (0.38) TBXA2RCA1CA2CYP1A2CYP3A4
SCHEMBL7845066 0.89 CYP1A2 (0.36) TBXA2RCA1CA2CYP1A2CYP3A4
SCHEMBL7837576 0.83 TBXA2R (0.32) TBXA2RCA1CA2CYP1A2CYP3A4
SCHEMBL7845061 0.80 BAZ1A (0.36) TBXA2RCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7849223 0.79 SLC10A2 (0.35) TBXA2RCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL7846878 0.77 CYP1A2 (0.36) TBXA2RCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7850479 0.77 NPSR1 (0.36) TBXA2RCYP1A2CYP2C19ALDH1A1CDC25C
SCHEMBL7845064 0.76 ALDH1A1 (0.37) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7848868 0.75 SMN1; SMN2 (0.33) CA1CYP1A2CYP2C19ALDH1A1CDC25C
SCHEMBL7838193 0.75 ALDH1A1 (0.41) CYP1A2CYP2C19KMT2AALDH1A1CDC25C

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