SCHEMBL7315844

SCHEMBL7315844

CN(C)C(=O)CC(CC(=O)OS(C)(=O)=O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.41
KLK1 P06870 6/20 0.41
F2 P00734 6/20 0.41
KMT2A Q03164 2/20 0.39
ACR P10323 3/20 0.37
KCNH2 Q12809 2/20 0.36
SLC22A2 O15244 1/20 0.36
TMPRSS2 O15393 1/20 0.36
HPN P05981 1/20 0.36
PRSS2 P07478 1/20 0.36
CTSL P07711 1/20 0.36
CNR1 P21554 1/20 0.36
PRSS3 P35030 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRD1 P41143 1/20 0.36
HGFAC Q04756 1/20 0.36
SLC47A2 Q86VL8 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1646119 0.87 KMT2A (0.43) PRSS1KLK1F2KMT2AACR
SCHEMBL1399030 0.86 PRSS1 (0.42) PRSS1KLK1F2KMT2AACR
SCHEMBL1399027 0.82 PRSS1 (0.43) PRSS1KLK1F2KMT2AACR
SCHEMBL1399029 0.80 KMT2A (0.44) PRSS1KLK1F2KMT2AACR
SCHEMBL7315839 0.79 PRSS1 (0.46) PRSS1KLK1F2KMT2AACR
SCHEMBL11417283 0.78 PRSS1 (0.50) PRSS1KLK1F2KMT2AACR
SCHEMBL11305433 0.78 PRSS1 (0.41) PRSS1KLK1F2KMT2AACR
SCHEMBL9235641 0.78 PRSS1 (0.51) PRSS1KLK1F2KMT2AACR
SCHEMBL9232530 0.78 PRSS1 (0.51) PRSS1KLK1F2KMT2AACR
SCHEMBL11305428 0.78 PRSS1 (0.56) PRSS1KLK1F2KMT2AACR

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 disclosed