SCHEMBL852133

SCHEMBL852133

N=C(NO)c1ccc(Oc2cc(Oc3ccc(C(=N)NO)cc3)cc(-c3cc(F)ccc3S(N)(=O)=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 7/20 0.44
PRSS1 P07477 7/20 0.44
PRSS2 P07478 6/20 0.44
PRSS3 P35030 6/20 0.44
F2 P00734 5/20 0.44
PLG P00747 2/20 0.40
F10 P00742 4/20 0.39
SOS1 Q07889 1/20 0.38
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
PTGES2 Q9H7Z7 3/20 0.34
PLAT P00750 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
SCHEMBL851309 0.87 ST14 (0.55) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3792937 0.77 CA1 (0.45) SOS1CA12CA1CA2CA9
SCHEMBL3790590 0.76 ST14 (0.43) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852134 0.72 ST14 (0.76) ST14PRSS1PRSS2PRSS3F2
SCHEMBL4038506 0.70 HDAC1 (0.39) F10CA12CA1CA2CA9
SCHEMBL3786207 0.69 ST14 (0.67) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3793330 0.69 ST14 (0.71) ST14PRSS1PRSS2PRSS3F2
SCHEMBL30039108 0.67 PTGS1 (0.47) F10CA12CA1CA2CA9
SCHEMBL8508906 0.66 PRSS1 (0.65) ST14PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL5797803 0.66 PTGS2 (0.54) CA12CA1CA2CA9PTGES2

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