SCHEMBL5748712

SCHEMBL5748712

CCCCCCCCc1cc2cccc3ccc4[c]ccc1c4c32

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.37
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5746292 1.00 TLR8 (0.37) TLR8KCNH2MEN1KMT2AMAPT
SCHEMBL5750058 1.00 TLR8 (0.37) TLR8KCNH2MEN1KMT2AMAPT
SCHEMBL5748428 0.91 KCNH2 (0.38) TLR8KCNH2MEN1KMT2AMAPT
SCHEMBL5748721 0.91 KCNH2 (0.38) TLR8KCNH2MEN1KMT2AMAPT
SCHEMBL5748904 0.91 KCNH2 (0.38) TLR8KCNH2MEN1KMT2AMAPT
SCHEMBL5749359 0.84 ALDH1A1 (0.36) MEN1KMT2AMAPTCYP3A4TSHR
Pyrene SCHEMBL4416467 0.83 MEN1 (0.45) TLR8KCNH2MEN1KMT2AMAPT
SCHEMBL3747524 0.83 MEN1 (0.45) TLR8KCNH2MEN1KMT2AMAPT
SCHEMBL5750994 0.83 KCNH2 (0.40) TLR8KCNH2MEN1KMT2AMAPT
SCHEMBL5749930 0.83 KCNH2 (0.40) TLR8KCNH2MEN1KMT2AMAPT

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