SCHEMBL16099271

SCHEMBL16099271

COC(CN=Cc1ncccn1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DYRK3 O43781 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK4 Q9NR20 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
SLC6A2 P23975 6/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 1/20 0.32
MET P08581 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL16097183 0.88 MEN1 (0.36) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL16095805 0.87 MEN1 (0.36) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL16097757 0.85 MAOA (0.44) MEN1KMT2ATAAR1ALDH1A1SMN1; SMN2
SCHEMBL16097200 0.85 MEN1 (0.36) MEN1KMT2ATAAR1SLC6A2SLC6A4
SCHEMBL16096005 0.81 MEN1 (0.43) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL16095944 0.80 DYRK3 (0.32) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL16098722 0.79 MEN1 (0.34) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL17499115 0.79 KDM4E (0.40) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL16095533 0.79 MEN1 (0.34) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL16097842 0.77 ALDH1A1 (0.46) MEN1KMT2ATAAR1ALDH1A1SMN1; 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 6 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
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP disclosed
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed