SCHEMBL9528880

SCHEMBL9528880

ON=C(c1ccccn1)c1ccccc1CCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
TLR7 Q9NYK1 1/20 0.39
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MCL1 Q07820 2/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 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
SCHEMBL9529601 0.85 SLC2A1 (0.42) L3MBTL1SIRT2MAOBAOC3KDM4E
SCHEMBL9529150 0.84 CYP4F2 (0.41) L3MBTL1KDM4EALDH1A1KMT2ALMNA
SCHEMBL9531938 0.83 TBXA2R (0.46) L3MBTL1SIRT2KMT2A
SCHEMBL9529710 0.78 RAB9A (0.44) L3MBTL1KDM4EALDH1A1KMT2ALMNA
SCHEMBL9528779 0.78 KDM4E (0.44) TLR7KDM4EALDH1A1KMT2ALMNA
SCHEMBL9528881 0.74 TBXA2R (0.52) L3MBTL1TLR7
SCHEMBL17842328 0.73 TLR7 (0.60) L3MBTL1TLR7ALDH1A1KMT2ALMNA
SCHEMBL17842331 0.73 TLR7 (0.60) L3MBTL1TLR7ALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL11447923 0.72 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1MCL1LMNA
SCHEMBL23366565 0.69 KDM4E (0.49) L3MBTL1KDM4EALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed