SCHEMBL7516347

SCHEMBL7516347

C=CCOc1cc(C2=NCCO2)cc(C2=NCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LTA4H P09960 1/20 0.38
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL23576312 0.85 KCNH2 (0.53) MAPTKDM4EALDH1A1MAPK1KCNH2
SCHEMBL3794785 0.76 KCNH2 (0.38) KCNH2HRH3LTA4HADRA2AADRA2B
SCHEMBL959643 0.70
SCHEMBL3818350 0.68 MAPT (0.47) MAPTKDM4EALDH1A1MAPK1CA12
SCHEMBL7519297 0.68 KCNH2 (0.34) KCNH2HRH3LTA4HADRA2ASMN1; SMN2
SCHEMBL23576315 0.67 KCNH2 (0.47) MAPTKDM4EALDH1A1MAPK1KCNH2
SCHEMBL9862825 0.67 KCNH2 (0.50) MAPTKDM4EALDH1A1MAPK1KCNH2
SCHEMBL9862823 0.67 KCNH2 (0.50) MAPTKDM4EALDH1A1MAPK1KCNH2
SCHEMBL23309639 0.66 KCNH2 (0.33) KCNH2HRH3LTA4H
SCHEMBL105809 0.65 NPC1 (0.41) KCNH2HRH3LTA4HADRA2AADRA2B

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
EP-1174422-A2 Environment-friendly process for the preparation of sterically hindered phenols with high molecular weight Institut für Polymerforschung Dresden e.V. (DE) 2002-01-23 EP disclosed