SCHEMBL8545203

SCHEMBL8545203

COc1ccc2c(c1)C1=C(CC2)C(c2ccc3c(c2)OCO3)C(C#N)=C(N)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
LMNA P02545 6/20 0.55
CASP1 P29466 5/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 10/20 0.52
KDM4E B2RXH2 7/20 0.52
ALOX15 P16050 5/20 0.52
GAA P10253 5/20 0.52
NPSR1 Q6W5P4 5/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 3/20 0.52
POLB P06746 2/20 0.52
USP2 O75604 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
BRCA1 P38398 1/20 0.52
HTT P42858 3/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 2/20 0.45

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
SCHEMBL8543558 0.85 ALDH1A1 (0.53) ALDH1A1LMNACASP1KMT2AMEN1
SCHEMBL8545070 0.84 ALDH1A1 (0.70) ALDH1A1LMNACASP1KMT2AMEN1
SCHEMBL8545128 0.83 MAPT (0.56) ALDH1A1LMNACASP1KMT2AMEN1
SCHEMBL8547862 0.81 ALDH1A1 (0.52) ALDH1A1LMNACASP1KMT2AMEN1
SCHEMBL8547334 0.81 MAPT (0.51) ALDH1A1LMNACASP1KMT2AMEN1
SCHEMBL8543359 0.80 ALDH1A1 (0.51) ALDH1A1LMNACASP1KMT2AMEN1
SCHEMBL8546711 0.80 KMT2A (0.52) ALDH1A1LMNACASP1KMT2AMEN1
SCHEMBL8543522 0.79 MAPT (0.54) ALDH1A1LMNACASP1KMT2AMEN1
SCHEMBL8549772 0.79 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL8543723 0.78 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AMEN1MAPT

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