SCHEMBL16098488

SCHEMBL16098488

COc1ccccc1N=CCc1cncnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 5/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPT P10636 4/20 0.36
CYP2D6 P10635 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CYP2C19 P33261 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
ALDH1A1 P00352 7/20 0.35
CASP1 P29466 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL17499494 0.86
SCHEMBL17499598 0.86 LMNA (0.43) CYP1A2CYP3A4HSD17B10MAPTCYP2D6
SCHEMBL17499110 0.85
SCHEMBL16097165 0.84 POLB (0.42) CYP1A2HSD17B10MAPTCYP2D6KDM4E
SCHEMBL17499775 0.78 PDE1A (0.38) HSD17B10KDM4ETSHRALDH1A1CASP1
SCHEMBL16096904 0.77 ALDH1A1 (0.46) CYP1A2CYP3A4HSD17B10MAPTKDM4E
SCHEMBL16096903 0.77 ALDH1A1 (0.46) CYP1A2CYP3A4HSD17B10MAPTKDM4E
SCHEMBL16095208 0.76 KDM4E (0.40) CYP1A2CYP3A4MAPTKDM4EALDH1A1
SCHEMBL16095671 0.76 PDE4A (0.39) CYP1A2CYP3A4HSD17B10MAPTKDM4E
SCHEMBL17499668 0.76 NPC1 (0.41) HSD17B10MAPTKDM4ENOS3NOS1

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