SCHEMBL16096597

SCHEMBL16096597

COc1ccccc1C/N=C(/C)c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.42
GRIN1 Q05586 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 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
TDP1 Q9NUW8 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 1/20 0.36
IDO1 P14902 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL16096599 1.00 GRIN2B (0.42) GRIN2BGRIN1SMN1; SMN2LMNACLK2
SCHEMBL16096272 0.87 GRIN1 (0.32) GRIN2BGRIN1
SCHEMBL16096233 0.87 KDM4E (0.42) SMN1; SMN2LMNATDP1MTNR1AMTNR1B
SCHEMBL16096615 0.87 GRIN1 (0.32) GRIN2BGRIN1
SCHEMBL16096271 0.87 GRIN1 (0.32) GRIN2BGRIN1
SCHEMBL16095182 0.78 GRIN2B (0.44) GRIN2BGRIN1SMN1; SMN2LMNACLK2
SCHEMBL16095180 0.78 GRIN2B (0.44) GRIN2BGRIN1SMN1; SMN2LMNACLK2
SCHEMBL16098219 0.77 MAPT (0.43) GRIN2BGRIN1SMN1; SMN2LMNATDP1
SCHEMBL16098217 0.77 MAPT (0.43) GRIN2BGRIN1SMN1; SMN2LMNATDP1
SCHEMBL17499731 0.76 GRIN2B (0.42) GRIN2BGRIN1SMN1; SMN2LMNACLK2

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