SCHEMBL8545488

SCHEMBL8545488

CCO/C=N/C1=C(C#N)C(c2ccc(OC)c(OC)c2)C2=C(O1)c1ccccc1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 8/20 0.46
MAPT P10636 8/20 0.46
LMNA P02545 5/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
GLA P06280 2/20 0.40
ALOX12 P18054 1/20 0.40
MYB P10242 3/20 0.39
HPGD P15428 5/20 0.38
RECQL P46063 1/20 0.38
PARP1 P09874 1/20 0.37
HTT P42858 3/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
S1PR4 O95977 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8545485 1.00 KDM4E (0.46) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8547881 0.87 ALDH1A1 (0.47) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8547876 0.87 ALDH1A1 (0.47) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8548964 0.83 MAPT (0.50) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8548966 0.83 MAPT (0.50) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8542516 0.82 MAPT (0.46) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8542520 0.82 MAPT (0.46) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8549109 0.82 MAPT (0.69) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8808989 0.77 MAPT (0.51) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8550665 0.76 MAPT (0.49) KDM4EALDH1A1MAPTLMNAMAPK1

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 5 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-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