SCHEMBL8548692

SCHEMBL8548692

N#CC1=C(N)OC2=C(CCc3ccccc32)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
MAPT P10636 10/20 0.69
KDM4E B2RXH2 6/20 0.69
LMNA P02545 5/20 0.69
MAPK1 P28482 1/20 0.69
GAA P10253 3/20 0.56
GLA P06280 2/20 0.56
ALOX12 P18054 1/20 0.56
MYB P10242 2/20 0.56
LNPEP Q9UIQ6 1/20 0.50
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
KMT2A Q03164 6/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL8544120 0.89 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8809965 0.87 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8549772 0.87 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8548341 0.86 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8544752 0.85 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8549311 0.84 MAPT (0.49) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8547849 0.82 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8541942 0.82 MAPT (0.77) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8543965 0.82 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8542520 0.81 MAPT (0.46) ALDH1A1MAPTKDM4ELMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6001784-A None JP disclosed
EP-0557075-B1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY CO ELI (GB) 1998-06-24 EP disclosed
EP-0618206-B1 Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-09-17 EP disclosed
US-5663375-A CELL PROLIFERATION ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5622987-A PREVENT MIGRATION OR PROLIFERATION OF SMOOTH MUSCLE CELLS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5576325-A TREATMENT OF IMMUNE DISEASES, RESTENOSIS, ENZYME INHIBITORS AND ANTISPASMODIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1996-11-19 US disclosed
US-5574034-A TREATMENT OF IMMUNE DISEASES AND EXCESS CELL PROLIFERATION, ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
US-5571818-A FOR TREATING IMMUNE DISEASES OR A DISEASE IN WHICH EXCESS CELL PROLIFERATION OR ENZYME RELEASE OCCUR ELI LILLY AND COMPANY (US) 1996-11-05 US disclosed
US-5514699-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-05-07 US disclosed
US-5378699-A Treatment of immune diseases, cell proliferation, restenosis and smooth muscle cells LILLY INDUSTRIES LIMITED (GB) 1995-01-03 US disclosed
US-5378717-A Therapy for diabetic complications ELI LILLY AND COMPANY (US) 1995-01-03 US disclosed
EP-0618206-A1 Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1994-10-05 EP disclosed
JP-H061784-A 5,6-DIHYDRONAPHTHO(1,2-B)PYRAN DERIVATIVE, MEDICINE COMPOSITION CONTAINING THE SAME AND THEIR PREPARATION LILLY IND LTD 1994-01-11 JP disclosed
EP-0557075-A1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY INDUSTRIES LIMITED (GB) 1993-08-25 EP disclosed