SCHEMBL77529

SCHEMBL77529

CC1=C(c2cc(F)ccc2N)C(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CCNE2 O96020 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
MALT1 Q9UDY8 1/20 0.37
KEAP1 Q14145 1/20 0.35
ACHE P22303 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MAOB P27338 4/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
SRD5A1 P18405 1/20 0.34
TYMS P04818 2/20 0.33
EPHA4 P54764 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL78707 0.87 MAPK14 (0.36) ALDH1A1MALT1ACHEPARP1PARP10
SCHEMBL78889 0.83 TDP1 (0.41) ALDH1A1ACHEPARP1PARP10MAOB
SCHEMBL79135 0.76 BRD4 (0.43) ALDH1A1PARP1MAOBTYMSHSD17B10
SCHEMBL1024205 0.72 PTGS1 (0.54) ALDH1A1ACHEPTGS1PTGS2USP2
SCHEMBL29901139 0.70 ALDH1A1 (0.62) ALDH1A1CCNE2CCNE1CDK2KEAP1
SCHEMBL79131 0.69 MAPT (0.47) ALDH1A1KEAP1USP2HTT
SCHEMBL77966 0.69 LMNA (0.47) ALDH1A1PTGS2HTTHSD17B10
Hydrochloric Acid SCHEMBL29901111 0.68 ALDH1A1 (0.59) ALDH1A1CCNE2CCNE1CDK2KEAP1
SCHEMBL8598463 0.67 CA1 (0.47) MALT1ACHEPARP1PARP10MAOB
Acetic Acid SCHEMBL30206663 0.66 KEAP1 (0.57) ALDH1A1CCNE2CCNE1CDK2KEAP1

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