SCHEMBL17499731

SCHEMBL17499731

COc1ccccc1CN=C(C)c1ccc(C)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
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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

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
SCHEMBL17499560 0.87 GRIN1 (0.32) GRIN2BGRIN1MEN1KMT2A
SCHEMBL17499612 0.86 GRIN1 (0.32) GRIN2BGRIN1MEN1KMT2A
SCHEMBL17499153 0.84 SMN1; SMN2 (0.45) GRIN2BGRIN1MEN1KMT2AKDM4E
SCHEMBL17499814 0.84 GRIN2B (0.44) GRIN2BGRIN1GAAMEN1KMT2A
SCHEMBL17499298 0.78 ALDH1A1 (0.44) GRIN2BGRIN1GAAMEN1KMT2A
SCHEMBL16096597 0.76 GRIN2B (0.42) GRIN2BGRIN1NPC1KDM4EPOLB
SCHEMBL16096599 0.76 GRIN2B (0.42) GRIN2BGRIN1NPC1KDM4EPOLB
SCHEMBL16095180 0.76 GRIN2B (0.44) GRIN2BGRIN1GAANPC1LMNA
SCHEMBL16095182 0.76 GRIN2B (0.44) GRIN2BGRIN1GAANPC1LMNA
SCHEMBL17499730 0.74 KMT2A (0.39) MEN1KMT2ANPC1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
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