SCHEMBL5138399

SCHEMBL5138399

CCCCCCCCCCc1cccnc1-c1nccc(CCCCCCCCCC)c1CCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.38
TYR P14679 1/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
NR1H2 P55055 1/20 0.35

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
SCHEMBL3833757 0.89 LIPG (0.50) LIPGTDP1L3MBTL1KCNH2TYR
SCHEMBL8720799 0.89 LIPG (0.50) LIPGTDP1L3MBTL1KCNH2TYR
SCHEMBL8720801 0.82 CYP1A2 (0.42) LIPG
SCHEMBL454461 0.82 CYP1A2 (0.42) LIPG
SCHEMBL28515301 0.82 CYP1A2 (0.42) LIPG
SCHEMBL29278701 0.82 CYP1A2 (0.42) LIPG
SCHEMBL27396593 0.82 CYP1A2 (0.42) LIPG
SCHEMBL28346125 0.80 TDP1 (0.38) LIPGTDP1L3MBTL1KCNH2TYR
SCHEMBL16013642 0.79 TYR (0.48) LIPGTDP1TYRBIDMCL1
SCHEMBL2955779 0.78 GPR84 (0.49) LIPGTDP1L3MBTL1BIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008037813-A1 METAL CATALYSTS COMPRISING NITROGEN-CONTAINING AROMATIC LIGANDS AND USE THEREOF UNIVERSITEIT VAN AMSTERDAM (NL) 2008-04-03 WO disclosed