SCHEMBL8158680

SCHEMBL8158680

CN(C)C(=N)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
F9 P00740 2/20 0.54
F2 P00734 1/20 0.51
KLK1 P06870 1/20 0.51

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
SCHEMBL8169809 0.89 F10 (1.00) F10F2KLK1
SCHEMBL8166353 0.88 F10 (0.79) F10
SCHEMBL8165043 0.85 F10 (1.00) F10F9F2
SCHEMBL8166448 0.85 F10 (0.74) F10F2
SCHEMBL8170384 0.85 F10 (1.00) F10F9F2
SCHEMBL8166126 0.83 F10 (1.00) F10
SCHEMBL8166226 0.80 F10 (1.00) F10F2
SCHEMBL8165749 0.80 F10 (0.84) F10
SCHEMBL8166444 0.79 F10 (1.00) F10F2KLK1
SCHEMBL8158646 0.75 F10 (0.80) F10F9F2KLK1

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