SCHEMBL7683706

SCHEMBL7683706

CCOC(=O)C=C(Cc1ccncc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.44
ALDH1A1 P00352 3/20 0.43
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLOD1 Q02809 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 4/20 0.42
NAMPT P43490 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
PTGS2 P35354 1/20 0.40
FNTA P49354 1/20 0.40

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
SCHEMBL9856539 0.83 PDPK1 (0.53) MAPTMEN1KMT2ANPC1
SCHEMBL7805240 0.83 HTT (0.48) ALDH1A1HPGDMAPTL3MBTL1MEN1
SCHEMBL7677704 0.80 KMT2A (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6524085 0.79 MAPT (0.50) ALDH1A1MAPTGAAL3MBTL1PTGS2
SCHEMBL6524082 0.79 MAPT (0.50) ALDH1A1MAPTGAAL3MBTL1PTGS2
SCHEMBL30040031 0.79 MAPT (0.50) ALDH1A1MAPTGAAL3MBTL1PTGS2
SCHEMBL13675556 0.79 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9262217 0.78 MAPT (0.49) ALDH1A1MAPTGAAPTGS2MEN1
SCHEMBL9262221 0.78 MAPT (0.49) ALDH1A1MAPTGAAPTGS2MEN1
SCHEMBL6490808 0.78 RAB9A (0.53) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492522-B1 OPTICAL ISOMERS AND SALTS WITH 4-PYRIDINECARBOXALDEHYDE IN THE PRESENCE OF BASE TO GIVE A COMPOUND OF THE FORMULA REACTING THE COMPOUND OBTAINED IN STEP B) ABOVE OR A SALT THEREOF WITH A COMPOUND OF FORMULA R.SUP.10 X, WHEREIN R.SUP.10, FINETECH LABORATORIES LTD. (IL) 2002-12-10 US disclosed
EP-1129073-A2 PROCESS AND INTERMEDIATES FOR PRODUCTION OF DONEPEZIL AND RELATED COMPOUNDS Finetech Ltd (IL) 2001-09-05 EP disclosed
WO-2000009483-A2 PROCESS AND INTERMEDIATES FOR PRODUCTION OF DONEPEZIL AND RELATED COMPOUNDS FINETECH LTD. (IL) 2000-02-24 WO disclosed