SCHEMBL7712834

SCHEMBL7712834

COC(=O)Cc1cc(Cl)c([N+](=O)[O-])cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.58
FGFR1 P11362 1/20 0.58
PDGFRA P16234 1/20 0.58
FLT1 P17948 1/20 0.58
FGFR3 P22607 1/20 0.58
KDR P35968 1/20 0.58
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.40
RAF1 P04049 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIA2 P42262 1/20 0.39

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
SCHEMBL31722848 0.88 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31726681 0.88 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL9975343 0.84 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19182411 0.84 CYP1A2 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7708997 0.83 PDGFRB (0.61) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19354405 0.82 PDGFRB (0.76) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19180373 0.80 SIGMAR1 (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28136284 0.80 PDGFRB (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL26685401 0.79 PDGFRB (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19311949 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1GRIA2SLC9A1VCAM1

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-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 EP disclosed
US-6048872-A DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS GLAXO WELLCOME INC. (US) 2000-04-11 US disclosed
EP-0865421-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1998-09-23 EP disclosed
WO-1997021665-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 WO disclosed