SCHEMBL5748397

SCHEMBL5748397

CCCCCCc1cccc2c(N)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.50
PARP1 P09874 1/20 0.50
LIPG Q9Y5X9 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44

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
SCHEMBL30217449 1.00 TLR8 (0.50) TLR8PARP1LIPGALDH1A1CYP3A4
SCHEMBL5745523 1.00 TLR8 (0.50) TLR8PARP1LIPGALDH1A1CYP3A4
SCHEMBL5745315 1.00 TLR8 (0.50) TLR8PARP1LIPGALDH1A1CYP3A4
SCHEMBL1668443 0.89 LIPG (0.47) TLR8PARP1LIPGALDH1A1CYP3A4
SCHEMBL5748550 0.89 LIPG (0.47) TLR8PARP1LIPGALDH1A1CYP3A4
SCHEMBL293357 0.89 LIPG (0.47) TLR8PARP1LIPGALDH1A1CYP3A4
SCHEMBL22256360 0.85 ALDH1A1 (0.54) TLR8PARP1ALDH1A1CYP3A4HPGD
SCHEMBL15345634 0.84 TLR8 (0.51) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL15345378 0.84 TLR8 (0.51) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL23405652 0.83 TLR8 (0.46) TLR8PARP1LIPGBIDMCL1

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