SCHEMBL31380450

SCHEMBL31380450

N=C(N)c1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 13/20 0.76
PRSS1 P07477 4/20 0.76
F2 P00734 4/20 0.76
F10 P00742 3/20 0.76
PLG P00747 3/20 0.76
KLK1 P06870 3/20 0.76
MAPT P10636 2/20 0.76
HGFAC Q04756 2/20 0.76
C1R P00736 2/20 0.76
TMPRSS2 O15393 1/20 0.76
MLNR O43193 1/20 0.76
ALDH1A1 P00352 1/20 0.76
LMNA P02545 1/20 0.76
ITGB3 P05106 1/20 0.76
HPN P05981 1/20 0.76
CHRM2 P08172 1/20 0.76
ITGA2B P08514 1/20 0.76
C1S P09871 1/20 0.76
ADORA3 P0DMS8 1/20 0.76
CHRM1 P11229 1/20 0.76

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
SCHEMBL7342376 0.92 F12 (0.71) F12PRSS1F2F10PLG
SCHEMBL7338848 0.92 F12 (0.71) F12PRSS1F2F10PLG
SCHEMBL7337750 0.92 F12 (0.71) F12PRSS1F2F10PLG
SCHEMBL7340925 0.88 F12 (0.66) F12PRSS1F2F10PLG
Nafamostat SCHEMBL16069975 0.87 PRSS1 (0.64) F12PRSS1F2F10PLG
Nafamostat SCHEMBL29360143 0.87 PRSS1 (1.00) F12PRSS1F2F10PLG
Nafamostat SCHEMBL29358879 0.87 PRSS1 (1.00) F12PRSS1F2F10PLG
Nafamostat SCHEMBL135503 0.87 PRSS1 (0.64) F12PRSS1F2F10PLG
Nafamostat SCHEMBL135504 0.87 PRSS1 (1.00) F12PRSS1F2F10PLG
Nafamostat SCHEMBL29429443 0.87 PRSS1 (0.64) F12PRSS1F2F10PLG

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
CN-119492835-A Liquid phase detection method for nafamostat mesylate related substances 华仁药业(日照)有限公司 2025-02-21 CN disclosed