SCHEMBL8548834

SCHEMBL8548834

CCOC=NC1=C(C#N)C(c2cccs2)C2=C(O1)c1cc(OC)ccc1CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
ALDH1A1 P00352 16/20 0.40
KDM4E B2RXH2 15/20 0.40
MAPT P10636 11/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
HSD17B10 Q99714 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
LMNA P02545 4/20 0.37
GAA P10253 3/20 0.37
USP2 O75604 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8548838 1.00 PARP1 (0.52) PARP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL8543464 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8808378 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8548388 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8545323 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8545485 0.75 KDM4E (0.46) PARP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL8545488 0.75 KDM4E (0.46) PARP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL8547876 0.72 ALDH1A1 (0.47) PARP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL8547881 0.72 ALDH1A1 (0.47) PARP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL8548966 0.71 MAPT (0.50) PARP1ALDH1A1KDM4EMAPTMEN1

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 5 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-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