SCHEMBL7940260

SCHEMBL7940260

COc1ccc2c(Oc3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)c(OC)c3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
PSD A5PKW4 1/20 0.41
HNF4A P41235 1/20 0.40
APP P05067 1/20 0.39
PTGS2 P35354 1/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
GSTP1 P09211 1/20 0.38
XDH P47989 1/20 0.38
PDE7A Q13946 1/20 0.37
HTT P42858 3/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOB P27338 1/20 0.37
HPGD P15428 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL7940253 0.93 TLR9 (0.44) TLR9HNF4AAPPPTGS2MAPK1
SCHEMBL7937836 0.88 APP (0.48) TLR9HNF4AAPPPTGS2MAPK1
SCHEMBL7940195 0.87 HSPB1 (0.46) TLR9HNF4AAPPPTGS2MAPK1
SCHEMBL7935034 0.85 PLAU (0.40) TLR9HNF4AAPPPTGS2MAPT
SCHEMBL7928761 0.85 DHFR (0.39) APPGSTP1
SCHEMBL7928854 0.85 MAOB (0.47) TLR9HNF4AAPPGSTP1MAOB
SCHEMBL7937733 0.82 MAPT (0.43) PTGS2MAPK1MAPTPDE7AHTT
SCHEMBL3121428 0.82 PTGS2 (0.53) HNF4AAPPPTGS2XDH
SCHEMBL3111379 0.82 PIK3CA (0.42) TLR9HNF4AAPPPTGS2MAPK1
SCHEMBL7937699 0.81 ABCG2 (0.49) PTGS2MAPK1MAPTPDGFRBPDGFRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835868-B1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods LILLY CO ELI (US) 2001-08-29 EP disclosed
US-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
EP-0835868-A1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed