SCHEMBL8530380

SCHEMBL8530380

O=C(CCS(=O)(=O)CCOCCc1ccccc1[N+](=O)[O-])NCCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.57
ABCB11 O95342 2/20 0.54
ADRB1 P08588 1/20 0.54
DRD2 P14416 1/20 0.54
PDE4A P27815 1/20 0.54

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
SCHEMBL8532621 0.88 ADRB2 (0.59) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL8527907 0.88 ADRB2 (0.59) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL8531752 0.87 ADRB2 (0.74) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL7795607 0.87 ADRB2 (0.58) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL8088349 0.78 ABCB11 (0.73) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL7837307 0.76 ADRB2 (0.80) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL7841548 0.75 ADRB2 (0.61) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL8528222 0.75 ABCB11 (0.74) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL8134195 0.75 ABCB11 (0.77) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL8528251 0.75 ABCB11 (0.73) ADRB2ABCB11ADRB1DRD2PDE4A

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-0649418-B1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES ASTRA PHARMA PROD (GB) 1998-10-28 EP disclosed
US-5648370-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1997-07-15 US disclosed