SCHEMBL8548341

SCHEMBL8548341

N#CC1=C(N2C(=O)CCC2=O)OC2=C(CCc3ccccc32)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 1/20 0.51
MYB P10242 1/20 0.42
GAA P10253 2/20 0.41
GLA P06280 2/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 3/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MPI P34949 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LNPEP Q9UIQ6 1/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8809965 0.89 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8548692 0.86 ALDH1A1 (0.69) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8546380 0.82 MAPT (0.52) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8544752 0.80 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8543247 0.80 MAPT (0.49) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8549311 0.79 MAPT (0.49) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8542516 0.76 MAPT (0.46) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8542520 0.76 MAPT (0.46) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL1752053 0.76 MYB (0.70) ALDH1A1MAPTLMNAKDM4EMYB
SCHEMBL8544120 0.75 ALDH1A1 (0.73) ALDH1A1MAPTLMNAKDM4EMAPK1

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