SCHEMBL7074560

SCHEMBL7074560

CCCCS(=O)(=O)N1CCN(C(=O)CCc2cccc(C(=N)N)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 14/20 0.57
POLB P06746 1/20 0.47
F10 P00742 8/20 0.44
F2 P00734 7/20 0.44
PLAU P00749 7/20 0.44
ST14 Q9Y5Y6 7/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.42

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
SCHEMBL7072198 0.88 F2 (0.53) PLGPOLBF2ALDH1A1GLA
SCHEMBL7071685 0.79 KMT2A (0.49) PLGPOLBF10F2PLAU
SCHEMBL7071442 0.78 SMN1; SMN2 (0.56) PLGALDH1A1
SCHEMBL7074294 0.78 ALDH1A1 (0.54) PLGF10F2PLAUST14
SCHEMBL7074309 0.78 PKM (0.63) PLGF10F2ALDH1A1
SCHEMBL7077118 0.78 ALDH1A1 (0.52) PLGPOLBALDH1A1
SCHEMBL7073640 0.77 PLG (0.56) PLGPOLBF10F2PLAU
SCHEMBL7074609 0.77 PLG (0.66) PLGF10F2PLAUST14
SCHEMBL7075829 0.75 F2 (0.49) PLGF2ALDH1A1GLA
SCHEMBL7074612 0.74 PLG (0.56) PLGF10F2PLAUST14

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
EP-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed