SCHEMBL16620490

SCHEMBL16620490

N#CCCN=C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17985119 0.98 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1
SCHEMBL16620998 0.87 KDM4E (0.37) ALDH1A1KDM4ETSHRCASP1
SCHEMBL17985125 0.84 KDM4E (0.34) ALDH1A1KDM4ETSHR
SCHEMBL16620431 0.84 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL17985116 0.81 MAPT (0.35) ALDH1A1KDM4ETSHR
SCHEMBL16620597 0.76 KDM4E (0.41) ALDH1A1KDM4ETSHRCASP1
SCHEMBL21957544 0.73
SCHEMBL991643 0.70 TSHR (0.39) TSHRCASP1
SCHEMBL990940 0.70 TSHR (0.39) TSHRCASP1
SCHEMBL2732043 0.69 TSHR (0.38) TSHRCASP1

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
US-11066486-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2021-07-20 US disclosed
US-20200157253-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2020-05-21 US disclosed
US-10590208-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2020-03-17 US disclosed
US-20160237179-A1 Polymers Functionalized With Imine Compounds Containing A Cyano Group BRIDGESTONE CORPORATION (JP) 2016-08-18 US disclosed
EP-3052531-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2016-08-10 EP disclosed
WO-2015050947-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-04-09 WO disclosed