SCHEMBL7345189

SCHEMBL7345189

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1cc(OC(C)C)cc(OC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.42
PLAU P00749 5/20 0.42
PLG P00747 2/20 0.42
PLAT P00750 2/20 0.42
KLKB1 P03952 2/20 0.42
PRSS1 P07477 2/20 0.42
F7 P08709 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
GPR139 Q6DWJ6 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL7338356 0.92 SMN1; SMN2 (0.44) F2F7MEN1KMT2AGAA
SCHEMBL7339495 0.92 KMT2A (0.44) F2PLAUPRSS1F7MEN1
SCHEMBL6777808 0.90 ITGB3 (0.46) F2PLAUPLGPLATKLKB1
SCHEMBL7341726 0.89 GPR139 (0.42) F2PRSS1F7MEN1KMT2A
SCHEMBL3839471 0.88 GPR139 (0.47) F2MEN1KMT2AGPR139ITGB3
SCHEMBL7836849 0.86 PKM (0.44) F2PLAUF7KMT2AGPR139
SCHEMBL7346550 0.86 ITGB3 (0.40) F2F7MEN1KMT2AGPR139
SCHEMBL7835622 0.86 ITGB3 (0.42) F2F7MEN1KMT2AGPR139
SCHEMBL7340341 0.86 F7 (0.41) F2F7MEN1KMT2AGPR139
SCHEMBL7838264 0.85 ITGB3 (0.51) GPR139ITGB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed