SCHEMBL5581868

SCHEMBL5581868

Cc1cc(Oc2cccc(-c3ccccc3C#N)n2)cc(-c2cccc(CN)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 12/20 0.42
PLG P00747 8/20 0.42
PLAT P00750 5/20 0.42
BRD4 O60885 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP19A1 P11511 1/20 0.35
KARS1 Q15046 1/20 0.35
ADORA2A P29274 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL5580923 0.87 PLAU (0.41) PLAUPLGPLATBRD4KARS1
SCHEMBL5580874 0.82 PLAU (0.51) PLAUPLGPLATBRD4
SCHEMBL5581446 0.82 PLAU (0.47) PLAUPLGPLATBRD4
Hydrochloric Acid SCHEMBL5581213 0.81 PLAU (0.46) PLAUPLGPLATBRD4
SCHEMBL5581492 0.80 PLAU (0.46) PLAUPLGPLATBRD4
Acetic Acid SCHEMBL5581210 0.79 PLAU (0.52) PLAUPLGPLATBRD4
SCHEMBL5581450 0.79 PLAU (0.51) PLAUPLGPLATBRD4
Hydrochloric Acid SCHEMBL5580919 0.79 PLAU (0.51) PLAUPLGPLATBRD4
SCHEMBL5581251 0.78 PLAU (0.53) PLAUPLGPLAT
SCHEMBL5580907 0.77 PLAU (0.54) PLAUPLGPLAT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148164-A1 Neonatal Fc receptor (FcRn)-binding polypeptide variants, dimeric Fc binding proteins and methods related thereto BIOGEN IDEC MA INC. (US) 2007-06-28 US disclosed