SCHEMBL8544752

SCHEMBL8544752

CC(=O)NC1=C(C#N)C(c2cccc([N+](=O)[O-])c2)C2=C(O1)c1ccccc1CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
MYB P10242 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
ABCB1 P08183 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TBXA2R P21731 1/20 0.39
AGTR1 P30556 1/20 0.39
CCKBR P32239 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 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
SCHEMBL8544742 0.90 MAPT (0.53) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8548692 0.85 ALDH1A1 (0.69) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8549311 0.85 MAPT (0.49) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8547302 0.83 MAPT (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8543140 0.83 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8541121 0.82 KDM4E (0.53) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8546898 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8545602 0.81 ALDH1A1 (0.56) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8548053 0.81 ALDH1A1 (0.56) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8809965 0.81 ALDH1A1 (0.52) 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