SCHEMBL6300754

SCHEMBL6300754

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4cc(C(=N)N)ccc4c3)c(-c3ccccc3C(=O)O)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
F2 P00734 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PLAU P00749 4/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
PLA2G7 Q13093 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL6294978 0.95 F2 (0.49) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6295817 0.91 PLA2G7 (0.46) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7154640 0.90 PLA2G7 (0.46) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7158686 0.90 F2 (0.45) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6377229 0.89 AKR1C3 (0.52) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8475188 0.89 PRSS1 (0.44) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6295821 0.87 PLA2G7 (0.44) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6300757 0.87 PLA2G7 (0.44) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6294964 0.87 F2 (0.48) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7157101 0.87 PLA2G7 (0.44) PRSS1PRSS2PRSS3ST14F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed