SCHEMBL16620709

SCHEMBL16620709

Cc1ccc(/N=C\CCCC#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2A6 P11509 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
GLA P06280 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL16620710 1.00 CYP2D6 (0.38) CYP2D6CYP2C9ALDH1A1KDM4ECYP2A6
SCHEMBL17985089 0.82 KMT2A (0.35) CYP2D6CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL17985088 0.82 KMT2A (0.35) CYP2D6CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL16620191 0.81 MAPT (0.41) CYP2D6CYP2C9ALDH1A1KDM4EMAPT
SCHEMBL16620189 0.81 MAPT (0.41) CYP2D6CYP2C9ALDH1A1KDM4EMAPT
SCHEMBL13310185 0.77 CYP2D6 (0.41) CYP2D6CYP2C9ALDH1A1KDM4EMAPT
SCHEMBL16620411 0.73 CYP2C9 (0.45) CYP2C9ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL16620412 0.73 CYP2C9 (0.45) CYP2C9ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL16620169 0.72 CYP2D6 (0.38) CYP2D6CYP2C9ALDH1A1KDM4ECYP2A6
SCHEMBL16620171 0.72 CYP2D6 (0.38) CYP2D6CYP2C9ALDH1A1KDM4ECYP2A6

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
US-10590208-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2020-03-17 US claimed
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