SCHEMBL8169809

SCHEMBL8169809

Cc1cc(C(=O)Nc2ccc(C(=N)N(C)C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
F2 P00734 1/20 0.64
KLK1 P06870 1/20 0.64

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
SCHEMBL8165749 0.91 F10 (0.84) F10
SCHEMBL8158680 0.89 F10 (1.00) F10F2KLK1
SCHEMBL8170283 0.86 F10 (0.82) F10
SCHEMBL8163275 0.85 F10 (1.00) F10
SCHEMBL8165155 0.85 F10 (1.00) F10
SCHEMBL8158570 0.83 F10 (0.71) F10
SCHEMBL8163938 0.82 F10 (0.70) F10
SCHEMBL8166226 0.82 F10 (1.00) F10F2
SCHEMBL8165451 0.82 F10 (1.00) F10
SCHEMBL8158809 0.79 F10 (0.69) F10

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