SCHEMBL8548614

SCHEMBL8548614

N#CC1=C(N)OC2=C(CCc3ccccc32)C1c1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.77
ALDH1A1 P00352 11/20 0.77
KDM4E B2RXH2 9/20 0.77
LMNA P02545 5/20 0.77
MAPK1 P28482 1/20 0.77
GAA P10253 3/20 0.61
GLA P06280 2/20 0.61
ALOX12 P18054 1/20 0.61
NPC1 O15118 4/20 0.54
HPGD P15428 3/20 0.54
PKM P14618 1/20 0.54
HTT P42858 4/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
THRB P10828 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 4/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 3/20 0.50
CASP1 P29466 2/20 0.50

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
SCHEMBL8809302 0.86 MAPT (0.56) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8543522 0.84 MAPT (0.54) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8541121 0.83 KDM4E (0.53) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8548167 0.81 ALDH1A1 (0.82) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8543744 0.81 ALDH1A1 (0.82) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8544221 0.81 ALDH1A1 (0.82) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8548966 0.80 MAPT (0.50) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8548964 0.80 MAPT (0.50) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8547849 0.80 ALDH1A1 (0.77) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL8541942 0.80 MAPT (0.77) 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 12 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
EP-0618206-B1 Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-09-17 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-5576325-A TREATMENT OF IMMUNE DISEASES, RESTENOSIS, ENZYME INHIBITORS AND ANTISPASMODIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1996-11-19 US disclosed
US-5574034-A TREATMENT OF IMMUNE DISEASES AND EXCESS CELL PROLIFERATION, ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
US-5571818-A FOR TREATING IMMUNE DISEASES OR A DISEASE IN WHICH EXCESS CELL PROLIFERATION OR ENZYME RELEASE OCCUR ELI LILLY AND COMPANY (US) 1996-11-05 US disclosed
US-5514699-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-05-07 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-0618206-A1 Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1994-10-05 EP disclosed
EP-0557075-A1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY INDUSTRIES LIMITED (GB) 1993-08-25 EP disclosed