SCHEMBL16096771

SCHEMBL16096771

COc1ccccc1C/N=C(/C)c1ccn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.43
GRIN1 Q05586 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL16096772 1.00 GRIN2B (0.43) GRIN2BGRIN1SMN1; SMN2LMNAMEN1
SCHEMBL17499724 0.87 NPC1 (0.33) GRIN2BGRIN1SMN1; SMN2NPC1RAB9A
SCHEMBL16097693 0.86 NPC1 (0.32) GRIN2BGRIN1SMN1; SMN2NPC1RAB9A
SCHEMBL16096283 0.77 GRIN2B (0.42) GRIN2BGRIN1SMN1; SMN2LMNAMTNR1A
SCHEMBL16096285 0.77 GRIN2B (0.42) GRIN2BGRIN1SMN1; SMN2LMNAMTNR1A
SCHEMBL16095985 0.76 ALDH1A1 (0.44) GRIN2BGRIN1SMN1; SMN2LMNAMEN1
SCHEMBL16095987 0.76 ALDH1A1 (0.44) GRIN2BGRIN1SMN1; SMN2LMNAMEN1
SCHEMBL17499737 0.76 GRIN2B (0.45) GRIN2BGRIN1SMN1; SMN2LMNAMTNR1A
SCHEMBL17499765 0.75 GRIN2B (0.42) GRIN2BGRIN1SMN1; SMN2LMNACLK2
SCHEMBL16095180 0.74 GRIN2B (0.44) GRIN2BGRIN1SMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed