SCHEMBL2394585

SCHEMBL2394585

O=C(COc1cccnc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.58
MAPT P10636 4/20 0.56
NOTUM Q6P988 1/20 0.55
NAMPT P43490 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
GALR3 O60755 1/20 0.51
KMT2A Q03164 5/20 0.50
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.49
APP P05067 1/20 0.49
GAA P10253 1/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49

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
SCHEMBL9367472 0.84 NR4A2 (0.59) SMN1; SMN2LMNAALDH1A1
SCHEMBL2009003 0.83 ALOX15 (0.62) MAPTNOTUMNAMPTLMNA
SCHEMBL1068092 0.82 MAPT (0.69) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL31407246 0.81 L3MBTL1 (0.63) PLOD2MAPTRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL29642862 0.81 ALOX15 (0.60) MAPTNOTUMNAMPTKMT2ALMNA
Hydrochloric Acid SCHEMBL6067927 0.81 ALOX15 (0.60) MAPTNOTUMNAMPTKMT2ALMNA
Methane SCHEMBL28765047 0.81 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL8136104 0.81 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL2394579 0.79 MAPT (0.51) PLOD2MAPTNOTUMNAMPTRAB9A
SCHEMBL2394586 0.79 MAPT (0.51) PLOD2MAPTNOTUMNAMPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 US disclosed