SCHEMBL8029502

SCHEMBL8029502

CCOC(=O)NC(=N)c1ccc(N)c(CN2CC[C@H](N(C)S(=O)(=O)c3ccc4ccc(OC)cc4c3)C2=O)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.78
F2 P00734 12/20 0.78
KLK6 Q92876 1/20 0.58
PLG P00747 2/20 0.57
PLAT P00750 2/20 0.57
PROC P04070 2/20 0.57
PRSS1 P07477 1/20 0.52

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
Trifluoroacetic Acid SCHEMBL7566913 0.84 F10 (0.89) F10F2KLK6PLGPLAT
Trifluoroacetic Acid SCHEMBL2328846 0.84 F10 (0.89) F10F2KLK6PLGPLAT
SCHEMBL2328153 0.79 F10 (0.75) F10F2KLK6PLGPLAT
Trifluoroacetic Acid SCHEMBL2333281 0.77 F10 (0.91) F10F2KLK6PLGPLAT
SCHEMBL7418220 0.76 F10 (0.44) F10F2PLGPLATPROC
SCHEMBL8425320 0.76 KLK6 (0.78) F10F2KLK6PLGPLAT
Hydrochloric Acid SCHEMBL7423366 0.75 KLK6 (0.76) F10F2KLK6PLGPLAT
SCHEMBL2332489 0.74 F10 (0.97) F10F2KLK6PLGPLAT
Hydrochloric Acid SCHEMBL2332732 0.73 F10 (0.98) F10F2KLK6PLGPLAT
Hydrochloric Acid SCHEMBL2332735 0.73 F10 (0.98) F10F2KLK6PLGPLAT

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-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed