SCHEMBL850835

SCHEMBL850835

N=C(N)c1ccc(Oc2ncccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 6/20 0.75
PRSS1 P07477 4/20 0.75
PRSS2 P07478 4/20 0.75
PRSS3 P35030 4/20 0.75
F2 P00734 4/20 0.75
F10 P00742 2/20 0.75
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
GLO1 Q04760 1/20 0.55
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MRGPRX1 Q96LB2 2/20 0.48
AGTR1 P30556 1/20 0.47
PGR P06401 1/20 0.46
CCR2 P41597 1/20 0.46
PLAU P00749 1/20 0.46
SLC16A3 O15427 2/20 0.45
TMPRSS6 Q8IU80 1/20 0.44

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
SCHEMBL851801 0.86 F10 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851549 0.80 ST14 (0.71) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851168 0.78 ST14 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851757 0.76 ST14 (0.81) ST14PRSS1PRSS2PRSS3F2
SCHEMBL1424658 0.75 KMT2A (0.57) KMT2AMEN1TDP1GLO1POLB
SCHEMBL8009202 0.73 KMT2A (0.65) KMT2AMEN1TDP1GLO1POLB
SCHEMBL852138 0.73 ST14 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL6295991 0.72 PRSS1 (0.68) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851794 0.72 F10 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL6979087 0.71 TDP1 (1.00) KMT2AMEN1TDP1GLO1POLB

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-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed