SCHEMBL8548388

SCHEMBL8548388

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.40
KDM4E B2RXH2 10/20 0.40
MAPT P10636 9/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HSD17B10 Q99714 4/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
GPR55 Q9Y2T6 1/20 0.37
GAA P10253 3/20 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
SCHEMBL8549098 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8543464 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8541664 0.85 SMN1; SMN2 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8808378 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8548057 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8545323 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8548834 0.77 PARP1 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8548838 0.77 PARP1 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8550665 0.73 MAPT (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8542814 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A

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