SCHEMBL19861988

SCHEMBL19861988

COc1nc(Nc2nc(OC)nc(OC)n2)nc(OC)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
GAA P10253 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL5028055 0.82 LMNA (0.45) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL33145 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL33144 0.80 MAPK1 (0.52) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL6342292 0.78 GAA (0.44) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL10750470 0.78 MAPT (0.43) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL33148 0.74 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL14354708 0.73 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL8351924 0.72 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL8351928 0.72 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL5026410 0.72 GAA (0.48) ALDH1A1SMN1; SMN2MAPTNPSR1HTT

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
US-10544265-B2 Thermoset polymers having a triazine network obtained by reaction of cyanate esters with dicyanamide room temperature ionic liquids DREXEL UNIVERSITY (US) 2020-01-28 US disclosed
US-20180044473-A1 THERMOSET POLYMERS HAVING A TRIAZINE NETWORK OBTAINED BY REACTION OF CYANATE ESTERS WITH DICYANAMIDE ROOM TEMPERATURE IONIC LIQUIDS DREXEL UNIVERSITY (US) 2018-02-15 US disclosed
US-20180044473-A1 THERMOSET POLYMERS HAVING A TRIAZINE NETWORK OBTAINED BY REACTION OF CYANATE ESTERS WITH DICYANAMIDE ROOM TEMPERATURE IONIC LIQUIDS DREXEL UNIVERSITY (US) 2018-02-15 US disclosed