SCHEMBL9529601

SCHEMBL9529601

ON=C(c1ccncc1)c1ccccc1CCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MCL1 Q07820 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL9531938 0.89 TBXA2R (0.46) L3MBTL1SIRT2RXFP1CYP11B1CYP11B2
SCHEMBL9528880 0.85 L3MBTL1 (0.41) L3MBTL1SIRT2KDM4EMAOBAOC3
SCHEMBL9527584 0.84 LMNA (0.43) L3MBTL1KDM4EALDH1A1
SCHEMBL9529174 0.78 LTA4H (0.39) L3MBTL1ALDH1A1
SCHEMBL9529212 0.78 MAPT (0.44) SLC2A1L3MBTL1KDM4EALDH1A1CYP11B1
SCHEMBL9529604 0.76 TBXA2R (0.52) L3MBTL1ALDH1A1
SCHEMBL9530556 0.72 MAPT (0.43) ALDH1A1
SCHEMBL9529150 0.68 CYP4F2 (0.41) L3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL9531940 0.67 TBXA2R (0.65)
Hydrochloric Acid SCHEMBL11447923 0.67 L3MBTL1 (0.52) L3MBTL1KDM4EALOX15ALDH1A1MCL1

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