SCHEMBL626539

SCHEMBL626539

COc1ccccc1-c1ccnn1-c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 10/20 0.55
HSP90AA1 P07900 1/20 0.53
PDE10A Q9Y233 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
NR3C2 P08235 2/20 0.44
SLC2A1 P11166 1/20 0.41
SLC2A2 P11168 1/20 0.41
SLC2A3 P11169 1/20 0.41
MAPK14 Q16539 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HTR7 P34969 1/20 0.39

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
SCHEMBL1631531 0.82 HSP90AA1 (0.62) KCNN4HSP90AA1PDE10ASMN1; SMN2NR3C2
SCHEMBL625870 0.78 HSP90AA1 (0.68) KCNN4HSP90AA1PDE10ASMN1; SMN2NR3C2
SCHEMBL6448483 0.78 ALDH1A1 (0.50) NR3C2MAPT
SCHEMBL1630519 0.78 HSP90AA1 (0.60) HSP90AA1PDE10ASMN1; SMN2NR3C2MAPK14
SCHEMBL27933075 0.78 CNR2 (0.51) SMN1; SMN2MAPTHTR7
SCHEMBL14695985 0.77 HSP90AA1 (0.44) KCNN4HSP90AA1PDE10ASMN1; SMN2NR3C2
SCHEMBL1629937 0.76 HSP90AA1 (0.45) KCNN4HSP90AA1PDE10ASMN1; SMN2NR3C2
SCHEMBL1630407 0.76 HSP90AA1 (0.45) KCNN4HSP90AA1PDE10ASMN1; SMN2NR3C2
SCHEMBL1630405 0.76 HSP90AA1 (0.45) KCNN4HSP90AA1PDE10ASMN1; SMN2NR3C2
SCHEMBL1631440 0.76 HSP90AA1 (0.49) KCNN4HSP90AA1PDE10ANR3C2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317212-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2013-11-28 US disclosed
EP-2603515-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2013-06-19 EP disclosed
CN-103068833-A Light emitting materials for electronics SOLVAY 2013-04-24 CN disclosed
EP-2423214-A1 Light emitting materials for Electronics Solvay SA (BE) 2012-02-29 EP disclosed
EP-2423214-A1 Light emitting materials for Electronics Solvay SA (BE) 2012-02-29 EP disclosed
WO-2012019948-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2012-02-16 WO disclosed
WO-2012019948-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2012-02-16 WO disclosed