SCHEMBL8548593

SCHEMBL8548593

COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCNc2ccncc2)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.72
CTRC Q99895 2/20 0.52
PRSS2 P07478 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 0.89 F2 (0.75) F2CTRCPRSS2
SCHEMBL8548545 0.87 F2 (0.73) F2CTRCPRSS2
SCHEMBL8541230 0.87 F2 (0.73) F2CTRCPRSS2
SCHEMBL8541190 0.84 F2 (0.72) F2CTRCPRSS2
SCHEMBL7333799 0.83 F2 (1.00) F2CTRCPRSS2
SCHEMBL7337176 0.82 MEN1 (0.56) F2
SCHEMBL8548020 0.81 F2 (0.68) F2CTRCPRSS2
SCHEMBL8543009 0.81 F2 (0.79) F2CTRCPRSS2
SCHEMBL5673614 0.80 F2 (0.70) F2CTRCPRSS2
SCHEMBL28744336 0.80 F2 (0.67) F2CTRCPRSS2

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