SCHEMBL4688192

SCHEMBL4688192

COc1c(OCc2ccccc2)ccnc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
HTR1A P08908 3/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
MAOB P27338 1/20 0.42
LIPE Q05469 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
SCHEMBL4898749 0.90 L3MBTL1 (0.53) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL5583648 0.87 BCHE (0.50) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL4140684 0.87 ABCB1 (0.53) L3MBTL1MAPTMAPK1TDP1HTT
SCHEMBL16356781 0.81 L3MBTL1 (0.65) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL4684239 0.81 MGAM (0.44) L3MBTL1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL17912878 0.79 MAPT (0.66) L3MBTL1MAPTMAPK1TDP1HTR1A
SCHEMBL4681700 0.79 RXRA (0.50) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4688019 0.79 HTR1A (0.43) L3MBTL1MAPTMAPK1TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL10373109 0.79 MAPT (0.41) L3MBTL1MAPTMAPK1TDP1LTA4H
SCHEMBL31517959 0.79 L3MBTL1 (0.51) L3MBTL1MAPTMAPK1TDP1STAT3

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-1973906-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE Virochem Pharma Inc. (CA) 2008-10-01 EP disclosed
WO-2006066414-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE VIROCHEM PHARMA INC. (CA) 2006-06-29 WO disclosed
US-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed