SCHEMBL16620675

SCHEMBL16620675

C=Nc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MPI P34949 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ENPP2 Q13822 1/20 0.44
TSHR P16473 1/20 0.42
CLK4 Q9HAZ1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39

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
SCHEMBL4088185 0.82 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL11709267 0.80 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL7053512 0.78 ENPP2 (0.48) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL29406199 0.78 TSHR (0.54) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL11709274 0.78 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL10311338 0.78 CLK4 (0.46) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL2817154 0.75 TSHR (0.61) ALDH1A1MAPTENPP2TSHRCLK4
Water SCHEMBL28137572 0.75 TSHR (0.61) ALDH1A1MAPTENPP2TSHRCLK4
SCHEMBL9289 0.75 TSHR (0.61) ALDH1A1MAPTENPP2TSHRCLK4
SCHEMBL843325 0.75 MIF (0.50) ALDH1A1MAPTLMNAMPICACNA1B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052531-B1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORP (JP) 2024-07-24 EP disclosed
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