SCHEMBL7923307

SCHEMBL7923307

C=C(N=C(N)N)c1ccc2cccc(-c3cncs3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
IDO1 P14902 1/20 0.34
AR P10275 1/20 0.33
IMPDH2 P12268 1/20 0.33
F2 P00734 2/20 0.33
PLG P00747 2/20 0.33
PLAU P00749 2/20 0.33
PLAT P00750 2/20 0.33
KLK1 P06870 2/20 0.33
PRSS1 P07477 2/20 0.33
MYC P01106 1/20 0.32
PLAUR Q03405 1/20 0.31
SLC9A1 P19634 1/20 0.31
HTR5A P47898 1/20 0.31
PIK3CD O00329 1/20 0.31
CD38 P28907 1/20 0.30
JAK3 P52333 1/20 0.30
BDKRB2 P30411 1/20 0.30

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
SCHEMBL7916601 0.80 TNF (0.43) F2PLGPLAUPLATKLK1
SCHEMBL16502725 0.78 SLC22A12 (0.44) CHEK1CHEK2IDO1ARPLAU
SCHEMBL7920052 0.74 CYP19A1 (0.45) IMPDH2PLAU
SCHEMBL7919941 0.73 PLAU (0.41) F2PLGPLAUPLATKLK1
SCHEMBL7915669 0.71 HTR5A (0.41) F2PLGPLAUPLATKLK1
SCHEMBL7451090 0.70 IDO1 (0.47) IDO1ARIMPDH2PLAURBDKRB2
SCHEMBL7918769 0.69 CNR2 (0.39) F2PLGPLAUPLATKLK1
SCHEMBL7916046 0.69 HTR5A (0.39) F2PLGPLAUPLATKLK1
SCHEMBL26259995 0.68 TBXAS1 (0.44) IDO1ARIMPDH2PLAURCD38
SCHEMBL7918264 0.68 SLC9A1 (0.49) ARPLAUSLC9A1HTR5A

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
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed