SCHEMBL7153138

SCHEMBL7153138

N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)cs3)cc2C(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
F2 P00734 6/20 0.38
MRGPRX1 Q96LB2 5/20 0.37
TMPRSS6 Q8IU80 2/20 0.35
F9 P00740 1/20 0.35
F10 P00742 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL7152685 0.94 F2 (0.37) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7153348 0.93 F10 (0.42) F2TMPRSS6F10
Trifluoroacetic Acid SCHEMBL7153131 0.90 F3 (0.40) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7154058 0.88 F3 (0.40) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7157047 0.88 F2 (0.38) PRSS1F2TMPRSS6F10
Trifluoroacetic Acid SCHEMBL7152683 0.84 F3 (0.43) F2TMPRSS6F10
Trifluoroacetic Acid SCHEMBL7153347 0.82 F3 (0.47) F2TMPRSS6F10
SCHEMBL7156678 0.82 PRSS1 (0.59) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7152737 0.79 F10 (0.46) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7154637 0.78 F2 (0.40) PRSS1PRSS2PRSS3F2TMPRSS6

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