SCHEMBL852134

SCHEMBL852134

N=C(NO)c1ccc(Oc2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Oc3ccc(C(=N)NO)cc3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 5/20 0.76
PRSS1 P07477 4/20 0.76
PRSS2 P07478 4/20 0.76
PRSS3 P35030 4/20 0.76
F2 P00734 3/20 0.76
FFAR4 Q5NUL3 2/20 0.55
FFAR1 O14842 1/20 0.55
F10 P00742 1/20 0.50
MRGPRX1 Q96LB2 1/20 0.49
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
MMP1 P03956 5/20 0.47
MMP13 P45452 5/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
CACNA1H O95180 2/20 0.46
CACNA1B Q00975 2/20 0.46
PLG P00747 1/20 0.46
GFER P55789 1/20 0.45

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
SCHEMBL8508906 0.92 PRSS1 (0.65) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851310 0.86 ST14 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3790598 0.85 PRSS1 (0.78) ST14PRSS1PRSS2PRSS3F2
SCHEMBL8510004 0.81 PRSS1 (0.55) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3792939 0.76 F2 (0.62) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3792439 0.76 ST14 (0.77) ST14PRSS1PRSS2PRSS3F2
SCHEMBL16592750 0.74 LMNA (0.51) ST14PRSS1PRSS2PRSS3F2
SCHEMBL15705237 0.74 FFAR1 (0.68) ST14PRSS1PRSS2PRSS3F2
SCHEMBL14645482 0.73 TMPRSS6 (0.69)
SCHEMBL852133 0.72 ST14 (0.44) ST14PRSS1PRSS2PRSS3F2

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