SCHEMBL78707

SCHEMBL78707

CC1=C(c2ccc(F)cc2N)C(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.36
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 3/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
SRD5A1 P18405 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ACHE P22303 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL77529 0.87 ALDH1A1 (0.37) HSD17B10ALDH1A1HTTMAOBPTGS1
SCHEMBL79135 0.76 BRD4 (0.43) HSD17B10ALDH1A1GAAL3MBTL1MAOB
SCHEMBL78889 0.73 TDP1 (0.41) HSD17B10CASP1CASP7ALDH1A1MAOB
SCHEMBL1024205 0.72 PTGS1 (0.54) HSD17B10ALDH1A1HTTPTGS1PTGS2
SCHEMBL29462674 0.70 ALDH1A1 (0.55) ALDH1A1HTTGAAL3MBTL1KDM4E
SCHEMBL78542 0.69 KMT2A (0.45) ALDH1A1HTTL3MBTL1KDM4EUSP2
SCHEMBL79057 0.69 LMNA (0.45) HSD17B10ALDH1A1HTTGAA
SCHEMBL8598463 0.67 CA1 (0.47) HSD17B10CASP1CASP7MAOBSRD5A1
SCHEMBL17808111 0.65 PTGS2 (0.39) HSD17B10ALDH1A1MAOBPTGS1PTGS2
SCHEMBL1020926 0.65 PTGS2 (0.57) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129488-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2012-03-06 US disclosed
US-20090209712-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM., LTD. (KR) 2009-08-20 US disclosed
US-7538239-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2009-05-26 US disclosed
WO-2007007992-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM, LTD. (KR) 2007-01-18 WO disclosed
US-20070010637-A1 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2007-01-11 US disclosed