SCHEMBL5746608

SCHEMBL5746608

CCCCCCCCCCc1cc(N)c2ccc3cccc4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL5745410 1.00 TLR8 (0.43) TLR8MEN1KMT2APARP1KCNH2
SCHEMBL5746315 1.00 TLR8 (0.43) TLR8MEN1KMT2APARP1KCNH2
SCHEMBL5750241 0.92 TLR8 (0.45) TLR8MEN1KMT2APARP1KCNH2
SCHEMBL5750326 0.92 TLR8 (0.45) TLR8MEN1KMT2APARP1KCNH2
SCHEMBL5746570 0.92 TLR8 (0.45) TLR8MEN1KMT2APARP1KCNH2
SCHEMBL17135982 0.88 MEN1 (0.47) TLR8MEN1KMT2AKCNH2ALDH1A1
SCHEMBL5750949 0.86 TLR8 (0.45) TLR8MEN1KMT2APARP1KCNH2
SCHEMBL5749563 0.86 TLR8 (0.45) TLR8MEN1KMT2APARP1KCNH2
SCHEMBL5748485 0.86 TLR8 (0.45) TLR8MEN1KMT2APARP1KCNH2
SCHEMBL5748774 0.83 TLR8 (0.46) TLR8MEN1KMT2APARP1KCNH2

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