SCHEMBL4000653

SCHEMBL4000653

CCOC(=O)C1CCN(c2cccc(-c3cc(C(F)(F)F)ccc3OC)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
PDK2 Q15119 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
KLK7 P49862 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3997734 0.89 L3MBTL1 (0.47) L3MBTL1HPGDMAPK1ALDH1A1PDK2
SCHEMBL8028835 0.82 L3MBTL1 (0.46) TP53L3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL4000871 0.80 L3MBTL1 (0.38) L3MBTL1ALDH1A1PDK2TDP1KDM4E
SCHEMBL19078462 0.80 HPGD (0.58) L3MBTL1HPGDMAPK1ALDH1A1MEN1
SCHEMBL31497620 0.77 HRH3 (0.53) ALDH1A1MEN1KMT2APDK2MAPT
SCHEMBL17609474 0.77 ALDH1A1 (0.49) HPGDALDH1A1MEN1KMT2APDK2
SCHEMBL3996895 0.76 MAPT (0.48) TP53L3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL27164103 0.75 TP53 (0.46) TP53L3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL17609445 0.75 MAPT (0.53) HPGDALDH1A1MEN1KMT2AATM
SCHEMBL16648472 0.75 MAPT (0.54) L3MBTL1HPGDMAPK1ALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed