SCHEMBL8549098

SCHEMBL8549098

CC(=O)NC1=C(C#N)C(c2cccs2)C2=C(O1)c1ccccc1CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.47
KDM4E B2RXH2 12/20 0.47
MAPT P10636 10/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
ALOX12 P18054 1/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HSD17B10 Q99714 4/20 0.41
USP2 O75604 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ALOX15 P16050 2/20 0.38
BRCA1 P38398 1/20 0.38
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8548388 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8544744 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8548053 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8545602 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8541121 0.79 KDM4E (0.53) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8546898 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8544742 0.79 MAPT (0.53) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8550665 0.78 MAPT (0.49) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8547302 0.77 MAPT (0.51) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8543140 0.77 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