SCHEMBL9528646

SCHEMBL9528646

c1ccc(C(=NON=C(c2ccccn2)c2ccccn2)c2ccccn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
ALDH1A1 P00352 5/20 0.47
AGTR1 P30556 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
KMT2A Q03164 3/20 0.44
GSK3B P49841 1/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 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
SCHEMBL213055 0.83 KDM4E (0.50) CES2CES1KDM4EL3MBTL1LMNA
SCHEMBL1255064 0.79 CES2 (0.56) CES2CES1KDM4EL3MBTL1LMNA
SCHEMBL215029 0.77 ALDH1A1 (0.56) CES2CES1KDM4EL3MBTL1LMNA
SCHEMBL1365894 0.77 KDM4E (0.63) CES2CES1KDM4EL3MBTL1LMNA
SCHEMBL9532773 0.76 SMN1; SMN2 (0.57) KDM4EL3MBTL1LMNANAPRTP4HTM
SCHEMBL30129831 0.76 CES2 (0.52) CES2CES1KDM4EL3MBTL1LMNA
SCHEMBL21238884 0.76 KDM4E (0.55) CES2CES1KDM4EL3MBTL1LMNA
SCHEMBL12955737 0.76 CES2 (0.52) CES2CES1KDM4EL3MBTL1LMNA
SCHEMBL213299 0.74 KDM4E (0.74) CES2CES1KDM4EL3MBTL1LMNA
SCHEMBL322443 0.71 AGTR1 (0.58) CES2CES1KDM4EL3MBTL1LMNA

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 12 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 claimed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US claimed
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP claimed
JP-2115166-A None JP disclosed
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
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed
JP-H02115166-A PYRIDYLKETOXIME ETHER DERIVATIVE AND MEDICINE COMPOSITION CONTAINING THE SAME KAKEN PHARMACEUT CO LTD 1990-04-27 JP disclosed