SCHEMBL8548545

SCHEMBL8548545

Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2ccccc2N)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.73
PRSS2 P07478 2/20 0.52
CTRC Q99895 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
SCHEMBL8543482 0.90 F2 (0.75) F2PRSS2CTRC
SCHEMBL8541230 0.88 F2 (0.73) F2PRSS2CTRC
SCHEMBL8548593 0.87 F2 (0.72) F2PRSS2CTRC
SCHEMBL8541190 0.85 F2 (0.72) F2PRSS2CTRC
SCHEMBL7333799 0.84 F2 (1.00) F2PRSS2CTRC
SCHEMBL8548020 0.80 F2 (0.68) F2PRSS2CTRC
SCHEMBL7392476 0.80 F2 (0.63) F2PRSS2CTRC
SCHEMBL8543477 0.80 F2 (0.62) F2PRSS2CTRC
SCHEMBL8543505 0.79 F2 (0.62) F2PRSS2CTRC
SCHEMBL8649972 0.77 F2 (0.59) F2PRSS2CTRC

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-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed