SCHEMBL16620351

SCHEMBL16620351

CCC=Nc1cccc(C#N)c1

nearest known ligand 0.45

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
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
MPI P34949 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
ENPP2 Q13822 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36

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
SCHEMBL16620350 1.00 ALDH1A1 (0.45) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL16620277 0.80 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL16620279 0.80 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL16620617 0.78 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL16620618 0.78 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL9197647 0.77 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL7053512 0.74 ENPP2 (0.48) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL4088185 0.73 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL16621180 0.72 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL16620013 0.72 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKDM4EHPGD

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 8 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
CN-105814087-B Polymers functionalized with imine compounds containing cyano groups 株式会社普利司通 2017-07-11 CN 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