SCHEMBL16503547

SCHEMBL16503547

NN=N/C(N)=N\C(=O)c1ccc2cccc(-c3ccccc3O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.39
HTR2B P41595 12/20 0.38
HTR7 P34969 9/20 0.38
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PLAU P00749 3/20 0.36
F2 P00734 2/20 0.36
PLG P00747 2/20 0.36
PLAT P00750 2/20 0.36
PRSS1 P07477 2/20 0.36
KLK1 P06870 1/20 0.36
HTR5A P47898 3/20 0.35
F10 P00742 1/20 0.33
HPN P05981 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 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
SCHEMBL7915987 0.86 SLC9A1 (0.52) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16503483 0.79 IRAK4 (0.45) SLC9A1PLAUCYP3A4CYP2C19
SCHEMBL7919834 0.77 SLC9A1 (0.56) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL7917567 0.77 SLC9A1 (0.50) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL7915823 0.75 PLA2G2D (0.50)
SCHEMBL16502803 0.75 HTR2B (0.51) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16502736 0.73 HTR5A (0.60) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL7919066 0.73 SLC9A1 (0.57) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16502777 0.73 HTR2B (0.53) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16502794 0.72 SLC9A1 (0.45) SLC9A1HTR2BHTR7DRD2ADRA1D

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
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed