SCHEMBL16096590

SCHEMBL16096590

COc1ccccc1CN=Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
NFE2L2 Q16236 1/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
NR4A1 P22736 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL16096589 1.00 KDM4E (0.46) KDM4EMAPTHTTL3MBTL1GAA
SCHEMBL17499821 0.86 NR4A1 (0.41) KDM4EMAPTHTTL3MBTL1NPC1
SCHEMBL17499801 0.86 NR4A1 (0.41) KDM4EMAPTHTTL3MBTL1NPC1
SCHEMBL17499820 0.86 NR4A1 (0.41) KDM4EMAPTHTTL3MBTL1NPC1
SCHEMBL16097755 0.86 KDM4E (0.44) KDM4EMAPTHTTL3MBTL1GAA
SCHEMBL17499823 0.85 GRIN1 (0.45) KDM4EMAPTHTTL3MBTL1GAA
SCHEMBL17499825 0.85 GRIN1 (0.45) KDM4EMAPTHTTL3MBTL1GAA
SCHEMBL16097956 0.85 GRIN1 (0.43) KDM4EMAPTHTTGAAGRIN1
SCHEMBL16097957 0.85 GRIN1 (0.43) KDM4EMAPTHTTGAAGRIN1
SCHEMBL16097016 0.85 POLB (0.46) KDM4EMAPTHTTL3MBTL1GAA

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