SCHEMBL13270794

SCHEMBL13270794

N=C(N)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 9/20 0.79
F2 P00734 8/20 0.79
PLAU P00749 1/20 0.79
F10 P00742 3/20 0.63
FURIN P09958 1/20 0.63
PRSS1 P07477 9/20 0.61
PRSS2 P07478 6/20 0.61
PRSS3 P35030 6/20 0.61
PLG P00747 1/20 0.61
TMPRSS2 O15393 1/20 0.52

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
Acetic Acid SCHEMBL3128603 0.89 NQO2 (0.66) ST14F2PLAUF10FURIN
SCHEMBL17084494 0.89 ST14 (1.00) ST14F2PLAUF10FURIN
SCHEMBL483100 0.89 ST14 (1.00) ST14F2PLAUF10FURIN
SCHEMBL523255 0.87 LMNA (0.59) ST14F2PLAUF10PRSS1
Iodide SCHEMBL3773658 0.84 LMNA (0.56) ST14F2PLAUF10PRSS1
Hydrochloric Acid SCHEMBL1019443 0.84 PRSS1 (0.61) ST14F2PLAUF10PRSS1
Hydrochloric Acid SCHEMBL22686316 0.82 PRSS1 (0.58) ST14F2PLAUF10PRSS1
Hydrochloric Acid SCHEMBL9342671 0.82 LMNA (0.54) ST14F2PLAUF10PRSS1
SCHEMBL19286912 0.81 ST14 (0.83) ST14F2PLAUF10FURIN
SCHEMBL3085721 0.81 F2 (0.83) ST14F2PLAUF10FURIN

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
EP-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP disclosed