SCHEMBL8530628

SCHEMBL8530628

c1ccc(CCOCCc2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15379631 0.88 TAAR1 (0.58) TAAR1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL12809089 0.87 TSHR (0.48) TAAR1LMNAHPGDRAB9ANPC1
SCHEMBL721007 0.82 TAAR1 (0.56) TAAR1LMNAHPGDRAB9ANPC1
SCHEMBL28985382 0.80 TAAR1 (0.54) TAAR1LMNAHPGDRAB9ANPC1
SCHEMBL198134 0.79 TSHR (0.52) TAAR1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL8905819 0.79 TAAR1 (0.48) TAAR1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL8905812 0.79 TAAR1 (0.48) TAAR1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL12064579 0.79 TAAR1 (0.48) TAAR1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6333918 0.79 TAAR1 (0.57) TAAR1LMNAHPGDRAB9ANPC1
SCHEMBL8921330 0.79 TAAR1 (0.57) TAAR1LMNAHPGDRAB9ANPC1

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 4 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
EP-0649418-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES Astra Pharmaceuticals Limited (GB) 1995-04-26 EP disclosed
WO-1993024473-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES FISONS PLC (GB) 1993-12-09 WO disclosed