SCHEMBL1382001

SCHEMBL1382001

CC(C)N1CCC(NC(=O)c2nc3cccnc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.80
F2 P00734 1/20 0.67
KLK1 P06870 1/20 0.67

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
SCHEMBL3369778 0.88 F10 (0.70) F10F2KLK1
SCHEMBL1380384 0.86 F10 (0.79) F10F2KLK1
SCHEMBL1378551 0.85 F10 (0.77) F10F2KLK1
SCHEMBL1380763 0.84 F10 (0.80) F10F2KLK1
SCHEMBL3369642 0.84 F10 (0.76) F10F2KLK1
SCHEMBL3372783 0.84 F10 (0.76) F10F2KLK1
SCHEMBL16161635 0.84 F10 (0.80) F10F2KLK1
SCHEMBL1379061 0.83 F10 (0.79) F10F2KLK1
SCHEMBL1381864 0.83 F10 (0.79) F10F2KLK1
SCHEMBL1379448 0.83 F10 (0.81) F10F2KLK1

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
JP-4658940-B2 2011-03-23 JP claimed