SCHEMBL16101467

SCHEMBL16101467

COc1ccccc1N=CCc1cncn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GSK3B P49841 1/20 0.33
DPP4 P27487 1/20 0.33
PABPC1 P11940 1/20 0.32
TSHR P16473 1/20 0.32
AMY1A P0DUB6 1/20 0.32

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
SCHEMBL17499211 0.87 PDE4A (0.32) PDE4A
SCHEMBL17499103 0.86 PDE4A (0.32) PDE4A
SCHEMBL16100418 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499770 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499768 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16100371 0.75 KDM4E (0.37) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499311 0.75 KDM4E (0.37) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16098488 0.75 CYP1A2 (0.36) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16101288 0.74 MEN1 (0.39) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16102164 0.74 KDM4E (0.38) ALDH1A1KDM4EHSD17B10CASP1RXFP1

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