SCHEMBL14645962

SCHEMBL14645962

CCc1c(C#N)cc(C(=O)O)c(N)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36

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
SCHEMBL14645817 0.89 KDM4E (0.42) KDM4EHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL14645997 0.86 ALDH1A1 (0.43) KDM4EHSD17B10GABRPGABRDGABRA1
SCHEMBL14645957 0.86 ALDH1A1 (0.43) KDM4EHSD17B10GABRPGABRDGABRA1
SCHEMBL14645847 0.82 KDM4E (0.46) KDM4EHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL14645991 0.82 HTT (0.44) KDM4EHSD17B10MEN1KMT2ATDP1
SCHEMBL2256681 0.79 KDM4E (0.50) KDM4EHSD17B10MEN1KMT2ATDP1
SCHEMBL1706723 0.79 KDM4E (0.39) KDM4EHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL14645980 0.78 ALDH1A1 (0.35) KDM4EHSD17B10L3MBTL1TDP1GABRP
SCHEMBL28042516 0.76 XDH (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1238859 0.76 KDM4E (0.50) KDM4EHSD17B10MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729444-B1 METHOD FOR MANUFACTURING 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2729444-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE Bayer Intellectual Property GmbH (DE) 2014-05-14 EP disclosed
WO-2013007603-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-17 WO disclosed