SCHEMBL5748990

SCHEMBL5748990

CCCCCCCCCCc1cccc2ccc[c]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
KCNH2 Q12809 2/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TLR8 Q9NR97 3/20 0.39
OXER1 Q8TDS5 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL2256379 1.00 LIPG (0.45) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL2251931 1.00 LIPG (0.45) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL2257083 0.93 TLR8 (0.38) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL5141784 0.86 GRM5 (0.33)
SCHEMBL458549 0.78 GABRA1 (0.41) KCNH2
SCHEMBL11145266 0.78 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523363 0.77 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523356 0.77 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523332 0.77 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523328 0.77 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed