SCHEMBL9529174

SCHEMBL9529174

ON=C(c1ccncc1)c1ccccc1CCOc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
KCNH2 Q12809 1/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
F10 P00742 1/20 0.37
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MMP3 P08254 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9527584 0.90 LMNA (0.43) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL9529212 0.88 MAPT (0.44) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL9529148 0.87 GLA (0.45) SMN1; SMN2NPC1ALDH1A1LMNACYP4F2
SCHEMBL9528779 0.83 KDM4E (0.44) KCNH2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL9528175 0.79 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL9529601 0.78 SLC2A1 (0.42) ALDH1A1L3MBTL1
SCHEMBL9530556 0.77 MAPT (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL9529759 0.76 KMT2A (0.43) SMN1; SMN2NPC1LMNACYP4F2CYP4A11
SCHEMBL9529150 0.73 CYP4F2 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL9529177 0.73 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPSR1LMNAPPARG

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
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
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed