SCHEMBL6898133

SCHEMBL6898133

N#Cc1cc(C#N)c(C=O)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.40
TTR P02766 2/20 0.33
ALB P02768 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STS P08842 1/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 1/20 0.32
RAD51 Q06609 1/20 0.32
GPR35 Q9HC97 1/20 0.31
EPAS1 Q99814 1/20 0.31
MIF P14174 1/20 0.31
CA9 Q16790 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31

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
SCHEMBL13073889 0.74 ALB (0.37) VCAM1TTRALBMEN1KMT2A
SCHEMBL31562753 0.74 TTR (0.41) VCAM1TTRALBMEN1KMT2A
SCHEMBL28973339 0.74 VCAM1 (0.34) VCAM1TTRALBMEN1KMT2A
SCHEMBL603077 0.74 EPAS1 (0.36) VCAM1TTRALBMEN1KMT2A
SCHEMBL6903631 0.73 ALDH1A1 (0.42) MEN1KMT2AMAOACA1CA2
SCHEMBL2097252 0.73 VCAM1 (0.33) VCAM1TTRALBMEN1KMT2A
SCHEMBL2097255 0.73 VCAM1 (0.33) VCAM1TTRALBMEN1KMT2A
SCHEMBL11835656 0.73 ERN1 (0.41) VCAM1TTRALBMEN1KMT2A
SCHEMBL5542222 0.72 VCAM1 (0.44) VCAM1TTRALBMEN1KMT2A
SCHEMBL22475359 0.71 KHK (0.36) MEN1KMT2A

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