SCHEMBL16620169

SCHEMBL16620169

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2A6 P11509 1/20 0.32
PTGS2 P35354 3/20 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
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
KMT2A Q03164 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
SCHEMBL16620171 1.00 CYP2D6 (0.38) CYP2D6CYP2C9ALDH1A1KDM4ECYP2A6
SCHEMBL17985093 0.84 KMT2A (0.34) ALDH1A1KDM4EKMT2A
SCHEMBL17985091 0.84 KMT2A (0.34) ALDH1A1KDM4EKMT2A
SCHEMBL16620256 0.81 MAPT (0.38) ALDH1A1KDM4EPTGS2LMNAMEN1
SCHEMBL16620259 0.81 MAPT (0.38) ALDH1A1KDM4EPTGS2LMNAMEN1
SCHEMBL13815279 0.74 CYP2D6 (0.39) CYP2D6CYP2C9ALDH1A1KDM4EPTGS2
SCHEMBL16620375 0.73 CYP2C9 (0.45) CYP2C9ALDH1A1KDM4ELMNAMEN1
SCHEMBL16620373 0.73 CYP2C9 (0.45) CYP2C9ALDH1A1KDM4ELMNAMEN1
SCHEMBL16620709 0.72 CYP2D6 (0.38) CYP2D6CYP2C9ALDH1A1KDM4ECYP2A6
SCHEMBL16620710 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