SCHEMBL8548966

SCHEMBL8548966

CCO/C=N/C1=C(C#N)C(c2cccnc2)C2=C(O1)c1ccccc1CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
ALDH1A1 P00352 9/20 0.50
KDM4E B2RXH2 9/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 3/20 0.40
THRB P10828 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP1 P09874 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPC1 O15118 1/20 0.37
PTGS2 P35354 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8548964 1.00 MAPT (0.50) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8547881 0.84 ALDH1A1 (0.47) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8547876 0.84 ALDH1A1 (0.47) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8542520 0.84 MAPT (0.46) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8542516 0.84 MAPT (0.46) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8545488 0.83 KDM4E (0.46) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8545485 0.83 KDM4E (0.46) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8548614 0.80 MAPT (0.77) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8809302 0.75 MAPT (0.56) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8541121 0.75 KDM4E (0.53) MAPTALDH1A1KDM4ELMNAMAPK1

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