SCHEMBL7999717

SCHEMBL7999717

N=C(N)c1cccc(CN2C(=O)CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.57
F2 P00734 4/20 0.56
PLG P00747 3/20 0.47
PROC P04070 1/20 0.47

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
SCHEMBL7996275 0.92 F10 (0.58) F10F2PLGPROC
SCHEMBL7999868 0.88 F10 (0.74) F10F2PLGPROC
Hydrochloric Acid SCHEMBL6895363 0.87 F10 (0.73) F10F2PLGPROC
SCHEMBL7999864 0.86 F10 (0.59) F10F2PLGPROC
SCHEMBL7996279 0.84 F10 (0.46) F10F2PLGPROC
SCHEMBL7997631 0.80 F10 (0.63) F10F2PLGPROC
SCHEMBL1303308 0.78 F10 (0.71) F10F2
Hydrochloric Acid SCHEMBL6895022 0.78 F10 (0.70) F10F2
SCHEMBL7996441 0.77 F10 (0.64) F10F2
SCHEMBL7074612 0.77 PLG (0.56) F10F2PLGPROC

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
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO claimed
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed