SCHEMBL7310906

SCHEMBL7310906

CN(C)C(=O)CC(Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
PRSS1 P07477 13/20 0.44
TMPRSS15 P98073 10/20 0.44
F2 P00734 2/20 0.41
KLK1 P06870 2/20 0.41
SLC22A2 O15244 1/20 0.41
TMPRSS2 O15393 1/20 0.41
HPN P05981 1/20 0.41
PRSS2 P07478 1/20 0.41
CTSL P07711 1/20 0.41
CNR1 P21554 1/20 0.41
PRSS3 P35030 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRD1 P41143 1/20 0.41
HGFAC Q04756 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC47A2 Q86VL8 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
ACR P10323 1/20 0.40
MEN1 O00255 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
SCHEMBL7315839 0.96 PRSS1 (0.46) KMT2APRSS1TMPRSS15F2KLK1
SCHEMBL1399029 0.84 KMT2A (0.44) KMT2APRSS1TMPRSS15F2KLK1
SCHEMBL11309396 0.83 PRSS1 (0.52) KMT2APRSS1TMPRSS15F2KLK1
SCHEMBL11308236 0.81 KMT2A (0.47) KMT2APRSS1TMPRSS15F2KLK1
SCHEMBL1646119 0.81 KMT2A (0.43) KMT2APRSS1TMPRSS15F2KLK1
SCHEMBL1399027 0.80 PRSS1 (0.43) KMT2APRSS1TMPRSS15F2KLK1
SCHEMBL11305428 0.79 PRSS1 (0.56) KMT2APRSS1TMPRSS15F2KLK1
Camostat SCHEMBL8829828 0.78 PRSS1 (0.66) KMT2APRSS1F2KLK1SLC22A2
SCHEMBL20008640 0.78 PRSS1 (0.68) KMT2APRSS1F2KLK1SLC22A2
Camostat SCHEMBL125269 0.78 PRSS1 (0.68) KMT2APRSS1F2KLK1SLC22A2

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-4021472-A ANTIPLASMIN AND ANTITRYPSIN ONO PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 US claimed