SCHEMBL6295991

SCHEMBL6295991

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.68
PRSS2 P07478 3/20 0.68
PRSS3 P35030 3/20 0.68
ST14 Q9Y5Y6 3/20 0.68
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
F2 P00734 3/20 0.56
F10 P00742 1/20 0.56
PGR P06401 1/20 0.56
AKR1C3 P42330 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
TMPRSS6 Q8IU80 2/20 0.50
MCL1 Q07820 1/20 0.50
PLAU P00749 1/20 0.49
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
PLA2G7 Q13093 2/20 0.48

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 0.95 PRSS1 (0.61) PRSS1PRSS2PRSS3ST14MEN1
Trifluoroacetic Acid SCHEMBL7150783 0.92 PRSS1 (0.58) PRSS1PRSS2PRSS3ST14MEN1
Trifluoroacetic Acid SCHEMBL7150780 0.89 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14MEN1
Trifluoroacetic Acid SCHEMBL7155335 0.86 F2 (0.56) PRSS1PRSS2PRSS3ST14MEN1
SCHEMBL7156678 0.86 PRSS1 (0.59) PRSS1PRSS2PRSS3ST14MEN1
SCHEMBL6294700 0.85 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14MEN1
Trifluoroacetic Acid SCHEMBL7157233 0.82 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14MEN1
Trifluoroacetic Acid SCHEMBL7151221 0.82 ST14 (0.62) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7151889 0.81 F2 (0.51) PRSS1PRSS2PRSS3ST14ALDH1A1
Trifluoroacetic Acid SCHEMBL7154693 0.81 PRSS1 (0.49) PRSS1PRSS2PRSS3ST14MEN1

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
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed