SCHEMBL8541121

SCHEMBL8541121

CC(=O)NC1=C(C#N)C(c2cccnc2)C2=C(O1)c1ccccc1CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.53
ALDH1A1 P00352 11/20 0.53
MAPT P10636 10/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.53
GLA P06280 4/20 0.43
GAA P10253 3/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
LNPEP Q9UIQ6 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 3/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
THRB P10828 2/20 0.38

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
SCHEMBL8545602 0.84 ALDH1A1 (0.56) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8548053 0.84 ALDH1A1 (0.56) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8548614 0.83 MAPT (0.77) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8544742 0.83 MAPT (0.53) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8544752 0.82 ALDH1A1 (0.51) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8546898 0.81 ALDH1A1 (0.51) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8543140 0.81 ALDH1A1 (0.51) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8547302 0.81 MAPT (0.51) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8550665 0.80 MAPT (0.49) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL8549098 0.79 ALDH1A1 (0.47) 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 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