SCHEMBL7552141

SCHEMBL7552141

CCC1CNCc2cc(NC(=N)C3=CC=CCC3=S)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7482739 0.80 CYP1A2 (0.32) F2PLGPLAUPLATKLKB1
SCHEMBL7512695 0.76 F2 (0.31) F2PLGPLAUPLATKLKB1
Hydrochloric Acid SCHEMBL7561008 0.75 MEN1 (0.36) F2PLGPLAUPLATKLKB1
SCHEMBL7506577 0.74 PNMT (0.44)
SCHEMBL7549924 0.71 NPC1 (0.32) F2PLGPLAUPLATKLKB1
SCHEMBL7489818 0.71 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL7511439 0.70 PNMT (0.37)
SCHEMBL7516507 0.70 PNMT (0.42)
SCHEMBL8307723 0.70 DRD2 (0.32)
SCHEMBL7512428 0.69 L3MBTL3 (0.31)

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
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP claimed