SCHEMBL16620617

SCHEMBL16620617

CC/C=N/c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
CYP2A6 P11509 2/20 0.47
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
LOXL2 Q9Y4K0 2/20 0.39
LMNA P02545 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL16620618 1.00 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL10432489 0.82 CYP2C9 (0.40) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL16620351 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL16620350 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL17189467 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL16620248 0.77 NOS3 (0.50) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL16620246 0.77 NOS3 (0.50) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL10119196 0.74 CYP2C9 (0.48) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL11982401 0.74 CYP2C9 (0.48) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL23829635 0.72 S100B (0.56) ALDH1A1KMT2AKDM4EGAAMEN1

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