SCHEMBL78542

SCHEMBL78542

CC1=C(c2ccc(F)cc2NS(=O)(=O)c2ccc(C)cc2)C(=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
CYP2C19 P33261 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
NOD2 Q9HC29 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
KMO O15229 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PGAM1 P18669 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL79131 0.91 MAPT (0.47) KMT2AMAPTTP53LMNAHTT
SCHEMBL79057 0.85 LMNA (0.45) KMT2AMAPTTP53LMNAHTT
SCHEMBL76978 0.83 LMNA (0.67) KMT2AMAPTLMNAHTTPOLB
SCHEMBL77967 0.83 LMNA (0.51) KMT2AMAPTLMNAHTTPOLB
SCHEMBL5956006 0.76 KEAP1 (0.58) KMT2AMAPTTP53LMNAHTT
SCHEMBL77966 0.75 LMNA (0.47) KMT2AMAPTTP53LMNAHTT
SCHEMBL8695450 0.75 KMT2A (0.61) KMT2AMAPTTP53LMNAHTT
SCHEMBL27716801 0.74 MAPT (0.41) KMT2AMAPTTP53LMNAHTT
SCHEMBL28610419 0.72 FFAR4 (0.53) KMT2AMAPTTP53LMNAHTT
SCHEMBL20599077 0.72 FFAR4 (0.53) KMT2AMAPTTP53LMNAHTT

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