SCHEMBL6897037

SCHEMBL6897037

N#Cc1ccc(C#N)c(C=O)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
UPP1 Q16831 1/20 0.32
MAOA P21397 3/20 0.32
AR P10275 2/20 0.32
MAOB P27338 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
PGR P06401 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5257630 0.81 AR (0.33) MEN1KMT2AKDM4EMAPTUPP1
SCHEMBL6903631 0.76 ALDH1A1 (0.42) MEN1KMT2AKDM4EMAPTMAOA
SCHEMBL19873366 0.76 TDP1 (0.33) MEN1KMT2AUPP1ARTDP1
SCHEMBL29057795 0.75 KDM4E (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL28728775 0.74 GAA (0.44) KMT2AKDM4EMAPTMAOAIMPDH2
SCHEMBL152358 0.74 TSHR (0.39) MEN1KMT2AKDM4EMAPTUPP1
SCHEMBL31399295 0.74 TSHR (0.39) MEN1KMT2AKDM4EMAPTUPP1
SCHEMBL28568257 0.72 UPP1 (0.37) KDM4EUPP1MAOAARMAOB
SCHEMBL13216383 0.72 TSHR (0.39) MEN1KMT2AKDM4EMAPTMAOA
SCHEMBL1428240 0.70 ERN1 (0.55) KDM4EMAPTARIMPDH2IMPDH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO disclosed