SCHEMBL21864339

SCHEMBL21864339

CN1CN(c2ccccc2)C=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 5/20 0.33
ATM Q13315 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP3A4 P08684 3/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
DRD2 P14416 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3861449 0.77 MAPT (0.41) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL8997500 0.75 NPC1 (0.38) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL9154800 0.72 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL31548632 0.72 NPC1 (0.33) SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL1009010 0.67 MAPT (0.36) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL31548634 0.66 SIGMAR1 (0.44) ATMCYP3A4SIGMAR1DRD2L3MBTL1
SCHEMBL574986 0.65 NPSR1 (0.38) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL666883 0.65 MAPT (0.37) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL1007069 0.64 MAPT (0.39) SMN1; SMN2NPC1RAB9AHPGDMAPT
Iodide SCHEMBL3820109 0.64 MAPT (0.36) SMN1; SMN2NPC1RAB9AHPGDMAPT

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-3637490-A1 HIGH EFFICIENCY YELLOW LIGHT EMITTERS FOR OLED DEVICES Universal Display Corporation (US) 2020-04-15 EP disclosed