SCHEMBL7369733

SCHEMBL7369733

Nc1nc(Nc2cccc(C(=O)NCC(=O)NC3(Cl)C=C(Cl)C=C(CCC(=O)O)C3)c2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
ITGB6 P18564 2/20 0.35
GFER P55789 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGB8 P26012 1/20 0.34
ITGA8 P53708 1/20 0.34

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
SCHEMBL7367300 0.83 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7346389 0.83 MAPT (0.35) GAAMAPTITGB3ITGAVITGB6
SCHEMBL7345255 0.81 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7343261 0.81 ITGB3 (0.40) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7346226 0.74 LMNA (0.35) GAAMAPTITGB3ITGAVITGB6
SCHEMBL7338522 0.72 MAPT (0.34) MAPTITGB3ITGAVITGB6ITGB1
SCHEMBL7338530 0.72 MAPT (0.34) MAPTITGB3ITGAVITGB6ITGB1
SCHEMBL7340934 0.71 ITGB3 (0.37) GAAMAPTITGB3ITGAVITGB1
SCHEMBL7345846 0.71 ITGB3 (0.38) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7340943 0.71 ITGB1 (0.34) MAPTITGB3ITGAVITGB1ITGA5

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-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
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 disclosed