SCHEMBL4852671

SCHEMBL4852671

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.38
SLC22A12 Q96S37 6/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR35 Q9HC97 2/20 0.38
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
VCAM1 P19320 1/20 0.34

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
SCHEMBL4959352 0.81 XDH (0.41) XDHSLC22A12KDM4EHSD17B10GPR35
SCHEMBL8658135 0.79 KDM4E (0.41) XDHSLC22A12KDM4EHSD17B10GPR35
SCHEMBL2040623 0.76 VCAM1 (0.41) GPR35VCAM1
SCHEMBL4849457 0.75 GPR35 (0.42) XDHSLC22A12KDM4EHSD17B10GPR35
SCHEMBL7196160 0.74 XDH (0.46) XDHSLC22A12KDM4EHSD17B10HTT
SCHEMBL4849617 0.74 XDH (0.50) XDHSLC22A12KDM4EHSD17B10HTT
SCHEMBL21918828 0.74 VCAM1 (0.39) GPR35VCAM1
SCHEMBL8586090 0.72 KDM4E (0.50) XDHSLC22A12KDM4EHSD17B10NOTUM
SCHEMBL16968396 0.72 KDM4E (0.50) XDHSLC22A12KDM4EHSD17B10NOTUM
SCHEMBL28436529 0.71 ALDH1A1 (0.41) XDHKDM4EHSD17B10

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
US-7371866-B2 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-05-13 US disclosed
WO-2005063385-A1 METHOD FOR OXIDIZING SATURATED HYDROCARBONS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 WO disclosed
US-20030216577-A1 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-11-20 US disclosed
EP-1362840-A1 Process for the preparation of aromatic and heteroaromatic carboxylic acids via catalytic ozonolysis DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-11-19 EP disclosed