SCHEMBL17499765

SCHEMBL17499765

COc1ccccc1CN=C(C)c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.42
GRIN1 Q05586 2/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
DBH P09172 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL16098426 0.87 GLA (0.32) GRIN2BGRIN1CLK2GSK3AGSK3B
SCHEMBL16098425 0.87 GLA (0.32) GRIN2BGRIN1CLK2GSK3AGSK3B
SCHEMBL16096668 0.87 KDM4E (0.42) LMNASMN1; SMN2TDP1MTNR1AMTNR1B
SCHEMBL17499397 0.86 GRIN1 (0.32) GRIN2BGRIN1CLK2GSK3AGSK3B
SCHEMBL16103101 0.77 SMN1; SMN2 (0.52) LMNASMN1; SMN2GSK3AGSK3BCDK9
SCHEMBL16096878 0.77 ALDH1A1 (0.43) GRIN2BGRIN1LMNASMN1; SMN2TDP1
SCHEMBL16096877 0.77 ALDH1A1 (0.43) GRIN2BGRIN1LMNASMN1; SMN2TDP1
SCHEMBL16095182 0.76 GRIN2B (0.44) GRIN2BGRIN1LMNASMN1; SMN2CLK2
SCHEMBL16095180 0.76 GRIN2B (0.44) GRIN2BGRIN1LMNASMN1; SMN2CLK2
SCHEMBL16098789 0.75 KMT2A (0.33) KDM4E

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
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed