SCHEMBL8545323

SCHEMBL8545323

COc1ccc2c(c1)C1=C(CC2)C(c2cccs2)C(C#N)=C(N2C(=O)CCC2=O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 18/20 0.39
MAPT P10636 15/20 0.39
KDM4E B2RXH2 11/20 0.39
KMT2A Q03164 10/20 0.39
MEN1 O00255 9/20 0.39
HSD17B10 Q99714 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ALOX15 P16050 3/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
ALOX12 P18054 2/20 0.38
HPGD P15428 2/20 0.38
APOBEC3A P31941 1/20 0.38
BLM P54132 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8808378 0.89 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8543464 0.86 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8548388 0.81 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8548834 0.77 PARP1 (0.52) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8548838 0.77 PARP1 (0.52) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8543247 0.73 MAPT (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8542814 0.73 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8548404 0.71 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8548343 0.70 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8545128 0.69 MAPT (0.56) ALDH1A1MAPTKDM4EKMT2AMEN1

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