SCHEMBL7154784

SCHEMBL7154784

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4cc(C(=N)N)ccc4c3)c(-c3cc4ccccc4cc3C(=O)OC(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.45
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
ST14 Q9Y5Y6 3/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
PLAU P00749 4/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7155329 0.93 F2 (0.47) PLA2G7F2PRSS1PRSS2PRSS3
SCHEMBL7151200 0.93 PRSS1 (0.50) PLA2G7F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7154778 0.90 PLA2G7 (0.46) PLA2G7F2PRSS1PRSS2PRSS3
SCHEMBL6300739 0.89 F10 (0.45) PLA2G7F2PRSS1PRSS2PRSS3
SCHEMBL6294964 0.89 F2 (0.48) PLA2G7F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7158686 0.85 F2 (0.45) PLA2G7F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7155325 0.84 F2 (0.47) PLA2G7F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7151193 0.83 PRSS1 (0.51) PLA2G7F2PRSS1PRSS2PRSS3
SCHEMBL6300651 0.82 PRSS1 (0.51) PLA2G7F2PRSS1PRSS2PRSS3
SCHEMBL6294700 0.81 PRSS1 (0.55) PLA2G7F2PRSS1PRSS2PRSS3

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-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed