SCHEMBL16620246

SCHEMBL16620246

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
ALDH1A1 P00352 5/20 0.46
CYP2A6 P11509 2/20 0.46
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
CYP1B1 Q16678 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL16620248 1.00 NOS3 (0.50) NOS3NOS1ALDH1A1CYP2A6HDAC8
SCHEMBL25095247 0.80 S100B (0.41) NOS3NOS1ALDH1A1KDM4EGAA
SCHEMBL21148114 0.77 NOS3 (0.50) NOS3NOS1ALDH1A1CYP2A6HDAC8
SCHEMBL16620617 0.77 ALDH1A1 (0.48) NOS3NOS1ALDH1A1CYP2A6HDAC8
SCHEMBL16620618 0.77 ALDH1A1 (0.48) NOS3NOS1ALDH1A1CYP2A6HDAC8
SCHEMBL16620279 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL16620277 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL4466830 0.73 NOS3 (0.50) NOS3NOS1ALDH1A1CYP2A6HDAC8
SCHEMBL3518507 0.73 NOS3 (0.56) NOS3NOS1ALDH1A1CYP2A6HDAC8
SCHEMBL18104448 0.73 NOS3 (0.42) NOS3NOS1ALDH1A1CYP2A6HDAC8

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
US-9742034-B2 Cyano-benzimidazole salts for electrochemical cells and method for synthesis thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2017-08-22 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