SCHEMBL12732285

SCHEMBL12732285

COc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc(C)cc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.68
KMT2A Q03164 5/20 0.64
MAPT P10636 4/20 0.64
MEN1 O00255 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPK1 P28482 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
ALDH1A1 P00352 2/20 0.64
TP53 P04637 1/20 0.64
GAA P10253 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
NPY5R Q15761 2/20 0.62
LMNA P02545 2/20 0.57
MERTK Q12866 1/20 0.57
HPGD P15428 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
ACP1 P24666 1/20 0.54
KDM1A O60341 1/20 0.54

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
SCHEMBL10073747 0.93 KCNH3 (0.77) KCNH3KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4544853 0.93 MAPT (0.71) KCNH3KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL10099686 0.93 KCNH3 (0.77) KCNH3KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4544867 0.88 MAPT (0.56) KCNH3KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL10099687 0.88 KCNH3 (0.74) KCNH3KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL12436386 0.88 KCNH3 (0.74) KCNH3KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL14264150 0.86 MAPT (0.53) KCNH3KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL11812041 0.86 MAPT (0.81) KCNH3KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL3502169 0.85 MAPT (0.87) KCNH3KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL3500212 0.85 MAPT (0.87) KCNH3KMT2AMAPTMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7922947-B2 Method of producing dispersion FUJIFILM CORPORATION (JP) 2011-04-12 US disclosed
US-7922947-B2 Method of producing dispersion FUJIFILM CORPORATION (JP) 2011-04-12 US disclosed
US-20080070086-A1 Phase-Separated Polymer Electrolyte Membrane, Electrode - Phase-Separated Polymer Electrolyte Membrane Joint Using Same, Method for Manufacture Thereof, and Fuel Cell Using Same HITACHI CHEMICAL COMPANY, LTD. (JP) 2008-03-20 US disclosed
US-20080070086-A1 Phase-Separated Polymer Electrolyte Membrane, Electrode - Phase-Separated Polymer Electrolyte Membrane Joint Using Same, Method for Manufacture Thereof, and Fuel Cell Using Same HITACHI CHEMICAL COMPANY, LTD. (JP) 2008-03-20 US disclosed