SCHEMBL8547876

SCHEMBL8547876

CCOC=NC1=C(C#N)C(c2ccc(Cl)c(Cl)c2)C2=C(O1)c1ccccc1CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 4/20 0.46
GLA P06280 1/20 0.46
ALOX12 P18054 1/20 0.46
PARP1 P09874 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8547881 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8545488 0.87 KDM4E (0.46) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8545485 0.87 KDM4E (0.46) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8548966 0.84 MAPT (0.50) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8548964 0.84 MAPT (0.50) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8542516 0.83 MAPT (0.46) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8542520 0.83 MAPT (0.46) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8545647 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8807559 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8546898 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTLMNAMAPK1

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