SCHEMBL8404439

SCHEMBL8404439

O=C(Nc1ccc(-c2ccccc2S)cc1F)c1cc(C(F)(F)F)nn1-c1cc2ccccc2cc1F

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.68
F2 P00734 4/20 0.59
KLKB1 P03952 1/20 0.59
PROC P04070 1/20 0.59
PRSS1 P07477 1/20 0.59
KCNH2 Q12809 1/20 0.55

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
SCHEMBL8406109 0.89 F10 (0.76) F10F2KLKB1PRSS1
SCHEMBL8165499 0.87 F10 (0.81) F10F2KLKB1PROCPRSS1
SCHEMBL8163627 0.87 F10 (0.80) F10F2KLKB1PROCPRSS1
SCHEMBL8163686 0.81 F10 (1.00) F10F2KCNH2
SCHEMBL8158181 0.80 F10 (0.78) F10F2KLKB1PROCPRSS1
SCHEMBL8166126 0.78 F10 (1.00) F10
SCHEMBL8165515 0.77 F10 (1.00) F10
SCHEMBL8166139 0.76 F10 (1.00) F10
SCHEMBL8170306 0.76 F10 (1.00) F10F2KLKB1PROCPRSS1
SCHEMBL8158194 0.76 F10 (0.84) F10F2PRSS1

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
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed