SCHEMBL8927498

SCHEMBL8927498

CC(C)(C)c1ccc(S(=O)(=O)NC(C(=O)NC2CC2)C(CC2CCCN(C(=N)N)C2)C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.42
F10 P00742 2/20 0.41
PLG P00747 1/20 0.39

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
SCHEMBL8926218 0.86 F2 (0.42) F2F10PLG
SCHEMBL8927392 0.83 F2 (0.42) F2
SCHEMBL8926247 0.83 CPN1 (0.37) F2F10PLG
SCHEMBL8927494 0.82 F2 (0.45) F2F10
SCHEMBL8717330 0.81 F2 (0.61) F2
SCHEMBL8927436 0.77 F2 (0.41) F2
SCHEMBL8716561 0.73 F2 (0.61) F2
SCHEMBL7302675 0.71 F2 (0.75) F2
SCHEMBL8717139 0.71 F2 (0.46) F2F10PLG
SCHEMBL8717372 0.70 F2 (0.48) F2

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-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed