SCHEMBL8549772

SCHEMBL8549772

COc1ccc2c(c1)C1=C(CC2)C(c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPT P10636 6/20 0.55
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
MYB P10242 2/20 0.49
LNPEP Q9UIQ6 1/20 0.46
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
ALOX12 P18054 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL8543359 0.91 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8548692 0.87 ALDH1A1 (0.69) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8548032 0.84 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8543723 0.83 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8543522 0.83 MAPT (0.54) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8549111 0.81 ALDH1A1 (0.72) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8545128 0.81 MAPT (0.56) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8547862 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL8543558 0.81 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL4340159 0.80 LNPEP (0.67) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557075-B1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY CO ELI (GB) 1998-06-24 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-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-0557075-A1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY INDUSTRIES LIMITED (GB) 1993-08-25 EP disclosed