SCHEMBL7363395

SCHEMBL7363395

N=C(N)c1cccc(C(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)CC(=O)O)c1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.83
F2 P00734 14/20 0.83
PRSS1 P07477 11/20 0.83
HDAC8 Q9BY41 1/20 0.49
TMPRSS6 Q8IU80 1/20 0.46
HTR6 P50406 1/20 0.46

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 SCHEMBL7458596 0.95 F2 (0.75) F10F2PRSS1TMPRSS6
Trifluoroacetic Acid SCHEMBL8345456 0.86 F10 (0.90) F10F2PRSS1
SCHEMBL7458603 0.86 F10 (0.79) F10F2PRSS1HDAC8
Hydrochloric Acid SCHEMBL7361309 0.82 F10 (0.98) F10F2PRSS1
SCHEMBL7363398 0.82 F10 (0.58) F10F2PRSS1HDAC8HTR6
SCHEMBL7365691 0.81 F10 (0.86) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451754 0.79 F10 (0.70) F10F2PRSS1TMPRSS6
Trifluoroacetic Acid SCHEMBL7458607 0.78 F10 (0.53) F10F2PRSS1HDAC8HTR6
SCHEMBL7367187 0.77 F10 (0.68) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7454337 0.77 F10 (0.74) F10F2PRSS1

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
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed