SCHEMBL16100418

SCHEMBL16100418

COc1ccccc1N=CCc1ccnn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
HPGD P15428 4/20 0.34
NPSR1 Q6W5P4 2/20 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
SENP7 Q9BQF6 1/20 0.34
HIF1A Q16665 2/20 0.34
STAT6 P42226 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 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
SCHEMBL17499386 0.88 KMT2A (0.30) L3MBTL1KMT2A
SCHEMBL17499715 0.86
SCHEMBL16101467 0.77 PDE4A (0.40) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499650 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16101292 0.76 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499727 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499723 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499668 0.76 NPC1 (0.41) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16101288 0.75 MEN1 (0.39) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499775 0.75 PDE1A (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