SCHEMBL3671514

SCHEMBL3671514

CCCCCc1cccc(N)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
TLR8 Q9NR97 7/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
PARP1 P09874 1/20 0.41
KCNH2 Q12809 2/20 0.40

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
SCHEMBL28321854 0.86 GABRA1 (0.56) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL31075131 0.84 LIPG (0.55) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL6679786 0.81 LIPG (0.44) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL4763408 0.81 BID (0.47) LIPGALOX5PTGS2TLR8BID
SCHEMBL981336 0.80 LIPG (0.55) LIPGALOX5PTGS2TLR8BID
SCHEMBL28748793 0.79 BID (0.50) LIPGALOX5PTGS2TLR8BID
SCHEMBL10824471 0.79 CYP3A4 (0.48) LIPGALOX5PTGS2TLR8BID
SCHEMBL9163528 0.79 BID (0.50) LIPGALOX5PTGS2TLR8BID
SCHEMBL9166810 0.79 BID (0.50) LIPGALOX5PTGS2TLR8BID
SCHEMBL8088586 0.79 BID (0.50) LIPGALOX5PTGS2TLR8BID

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
EP-1966223-B1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEMICAL LTD (KR) 2013-08-14 EP disclosed
US-7807762-B2 Catalyst composition comprising Group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEM, LTD. (KR) 2010-10-05 US disclosed
US-20090005525-A1 Catalyst Composition Comprising Group 4 Transition Metal Complexes and Method for Preparing Polyolefins Using the Same LG CHEM , LTD. (KR) 2009-01-01 US disclosed
EP-1966223-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG Chem. Ltd. (KR) 2008-09-10 EP disclosed
WO-2007078133-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEM. LTD. (KR) 2007-07-12 WO disclosed