SCHEMBL5749865

SCHEMBL5749865

CCCCCCCCc1cccc2[c]ccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
KCNH2 Q12809 2/20 0.40
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
PPARA Q07869 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 2/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
TLR8 Q9NR97 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5750628 1.00 LIPG (0.41) LIPGKCNH2BIDMCL1PPARA
SCHEMBL5748220 1.00 LIPG (0.41) LIPGKCNH2BIDMCL1PPARA
SCHEMBL5750230 0.77 TLR8 (0.41) LIPGKCNH2BIDMCL1PPARA
SCHEMBL5749017 0.77 TLR8 (0.41) LIPGKCNH2BIDMCL1PPARA
SCHEMBL5751820 0.77 TLR8 (0.41) LIPGKCNH2BIDMCL1PPARA
SCHEMBL6114475 0.75 TRPV1 (0.49) LIPGKCNH2BIDMCL1PPARA
SCHEMBL11792004 0.75 TLR8 (0.45) LIPGKCNH2BIDMCL1PPARA
SCHEMBL6115058 0.75 TRPV1 (0.49) LIPGKCNH2BIDMCL1PPARA
SCHEMBL6115046 0.75 TRPV1 (0.49) LIPGKCNH2BIDMCL1PPARA
SCHEMBL6114571 0.75 TRPV1 (0.49) LIPGKCNH2BIDMCL1PPARA

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