SCHEMBL16095671

SCHEMBL16095671

COc1ccccc1N=CCc1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 3/20 0.34
SYK P43405 3/20 0.34
AURKB Q96GD4 2/20 0.34
INCENP Q9NQS7 2/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL17499102 0.87 PDE4A (0.31) PDE4ANPC1
SCHEMBL16096261 0.86 SYK (0.45) ALDH1A1MAPTHTTMEN1NPC1
SCHEMBL17499472 0.86 PDE4A (0.31) PDE4A
SCHEMBL16095208 0.81 KDM4E (0.40) ALDH1A1MAPTHTTMEN1NPC1
SCHEMBL16097165 0.80 POLB (0.42) PDE4AALDH1A1MAPTMEN1KMT2A
SCHEMBL16099004 0.80 MAPT (0.37) ALDH1A1MAPTHTTMEN1NPC1
SCHEMBL16096651 0.80 FFAR1 (0.35) ALDH1A1MAPTHTTMEN1NPC1
SCHEMBL17499668 0.79 NPC1 (0.41) ALDH1A1MAPTHTTMEN1NPC1
SCHEMBL16096294 0.78 KMT2A (0.40) ALDH1A1MAPTHTTMEN1NPC1
SCHEMBL16097819 0.77 MAPT (0.41) ALDH1A1MAPTHTTMEN1NPC1

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 5 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
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed