SCHEMBL5746473

SCHEMBL5746473

N#Cc1ccc2cc3c(N)cccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
SLC6A4 P31645 5/20 0.41
F2 P00734 2/20 0.40
PLG P00747 2/20 0.40
PLAU P00749 2/20 0.40
PRSS1 P07477 2/20 0.40
PLAT P00750 1/20 0.40
KLK1 P06870 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5749377 1.00 CA1 (0.47) CA1CA2SLC6A4F2PLG
SCHEMBL4083551 0.86 CA1 (0.53) CA1CA2SLC6A4ALDH1A1KDM4E
SCHEMBL4084268 0.86 CA1 (0.53) CA1CA2F2PLGPLAU
Bromide SCHEMBL7338511 0.84 CA1 (0.51) CA1CA2F2PLGPLAU
SCHEMBL31059235 0.84 CA1 (0.59) CA1CA2SLC6A4F2PLG
SCHEMBL12320897 0.81 CA1 (0.56) CA1CA2SLC6A4F2PLG
SCHEMBL11056975 0.80 CA1 (0.47) CA1CA2SLC6A4F2PLG
SCHEMBL5008737 0.80 ALDH1A1 (0.54) F2PLGPLAUPRSS1PLAT
SCHEMBL5012440 0.80 ALDH1A1 (0.54) F2PLGPLAUPRSS1PLAT
SCHEMBL2761110 0.80 CA1 (0.57) CA1CA2SLC6A4F2PLG

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