SCHEMBL7156678

SCHEMBL7156678

N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.59
PRSS2 P07478 3/20 0.59
PRSS3 P35030 3/20 0.59
ST14 Q9Y5Y6 3/20 0.59
F2 P00734 5/20 0.50
F10 P00742 1/20 0.50
PGR P06401 1/20 0.46
PLAU P00749 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PLA2G7 Q13093 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TMPRSS6 Q8IU80 3/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
AKR1C3 P42330 1/20 0.42
MRGPRX1 Q96LB2 2/20 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 SCHEMBL7156674 0.88 PRSS1 (0.61) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7151200 0.87 PRSS1 (0.50) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7150783 0.86 PRSS1 (0.58) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6295991 0.86 PRSS1 (0.68) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7152737 0.84 F10 (0.46) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7150780 0.83 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7153138 0.82 PRSS1 (0.38) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7155329 0.81 F2 (0.47) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6300848 0.81 F10 (0.47) PRSS1F2F10PLAUMRGPRX1
SCHEMBL7154784 0.81 PLA2G7 (0.45) 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 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