SCHEMBL7021907

SCHEMBL7021907

C[N]S(=O)(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.35
PRSS1 P07477 6/20 0.35
PRSS2 P07478 6/20 0.35
PRSS3 P35030 6/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33

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
SCHEMBL2000972 0.81
SCHEMBL394730 0.81 F2 (0.54) F2PRSS1PRSS2PRSS3CA1
SCHEMBL9172412 0.79 F2 (0.55) F2PRSS1PRSS2PRSS3CA1
SCHEMBL242874 0.75 F2 (0.38) F2PRSS1PRSS2PRSS3CA1
Lithium Ion SCHEMBL1248473 0.73 F2 (0.36) F2PRSS1PRSS2PRSS3CA1
Lithium Ion SCHEMBL3153428 0.69 F2 (0.39) F2PRSS1PRSS2PRSS3CA1
SCHEMBL16140083 0.67 F2 (0.32) F2PRSS1PRSS2PRSS3CA1
SCHEMBL1513007 0.65
SCHEMBL778180 0.65 CA2 (0.39) CA1CA2CA7CA13
SCHEMBL776245 0.63 CA2 (0.44) F2PRSS1PRSS2PRSS3CA1

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
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed