SCHEMBL8545296

SCHEMBL8545296

COc1ccc2c(c1)C1=C(CC2)C(c2cccn2C)C(C#N)=C(N)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
KDM4E B2RXH2 10/20 0.47
MAPT P10636 10/20 0.47
LMNA P02545 5/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 9/20 0.47
MEN1 O00255 8/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 6/20 0.47
GLA P06280 1/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 2/20 0.41
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8547775 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8545128 0.80 MAPT (0.56) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8543464 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8543522 0.78 MAPT (0.54) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8547334 0.78 MAPT (0.51) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8542814 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8548404 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8543558 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8548343 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL8545203 0.76 ALDH1A1 (0.55) 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