SCHEMBL9529562

SCHEMBL9529562

ON=C(c1ccccn1)c1ccccc1Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HKDC1 Q2TB90 1/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
AGTR1 P30556 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL9532029 0.85 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2NPC1
SCHEMBL9530012 0.83 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2GAA
SCHEMBL9529021 0.83 SMN1; SMN2 (0.37) KDM4EHKDC1LMNAHTTSMN1; SMN2
SCHEMBL23366565 0.82 KDM4E (0.49) KDM4ELMNAHTTSMN1; SMN2GAA
SCHEMBL9529276 0.81 ALDH1A1 (0.46) KDM4ELMNAHTTNPC1RAB9A
SCHEMBL9532053 0.81 NPC1 (0.43) KDM4ELMNAHTTSMN1; SMN2NPC1
SCHEMBL9527768 0.80 CYP2C9 (0.40) KDM4ELMNAHTTSMN1; SMN2NPC1
SCHEMBL10406923 0.80 CYP1A2 (0.40) KDM4ELMNAHTTSMN1; SMN2GAA
SCHEMBL9529150 0.75 CYP4F2 (0.41) KDM4ELMNAHTTSMN1; SMN2GAA
SCHEMBL9532748 0.75 POLB (0.46) KDM4ELMNAHTTSMN1; SMN2NPC1

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