SCHEMBL8547816

SCHEMBL8547816

COc1ccc(C2C(C#N)=C(N)OC3=C2CCc2ccccc23)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
MAPT P10636 7/20 0.65
ALDH1A1 P00352 7/20 0.65
LMNA P02545 3/20 0.65
MAPK1 P28482 2/20 0.65
GAA P10253 3/20 0.63
GLA P06280 1/20 0.63
ALOX12 P18054 1/20 0.63
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
USP7 Q93009 3/20 0.47
MYB P10242 5/20 0.45
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8549109 0.91 MAPT (0.69) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL8549830 0.88 KDM4E (0.65) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL8545647 0.88 ALDH1A1 (0.73) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL8548051 0.85 ALDH1A1 (0.69) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL8544905 0.83 ALDH1A1 (0.77) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL8549111 0.83 ALDH1A1 (0.72) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL8544221 0.82 ALDH1A1 (0.82) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL8547078 0.82 KMT2A (0.48) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL8543965 0.81 ALDH1A1 (0.77) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL8543558 0.80 ALDH1A1 (0.53) KDM4EMAPTALDH1A1LMNAMAPK1

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