SCHEMBL7420751

SCHEMBL7420751

O=C(CBr)C1=CC=COO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.33
PTPN1 P18031 3/20 0.33

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
SCHEMBL7822387 0.72
SCHEMBL6580612 0.72 MPO (0.32)
SCHEMBL3641375 0.68 TSHR (0.40)
SCHEMBL7420747 0.61 GSK3B (0.34) GSK3BPTPN1
SCHEMBL27472087 0.61 AKR1B1 (0.32)
SCHEMBL6181128 0.57
SCHEMBL4966817 0.55 CA1 (0.30)
SCHEMBL6543881 0.55 GSK3B (0.59) GSK3BPTPN1
SCHEMBL9409751 0.55 PTPN1 (0.46) GSK3BPTPN1
SCHEMBL205280 0.55 GSK3B (0.80) GSK3BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
US-5972630-A DETERMINING THE PRESENCE OF AN ANALYTE IN SAMPLE; COMPLEXING TWO COMPLEMENTARY SPECIFIC BINDING MEMBERS; THE MEMBERS ARE LIGAND AND RECEPTOR IN SOLUTION, ANALYZING ENZYME ACTIVITY, EVALUATING ACTIVITY BY AMOUNT OF ANALYTE IN SAMPLE DADE BEHRING MARBURG GMBH (DE) 1999-10-26 US disclosed
US-5919641-A INCUBATING SAMPLE WITH ENZYME BOUND TO FIRST SPECIFIC BINDING PAIR MEMBER AND ENZYME INHIBITOR BOUND TO SECOND SPECIFIC BINDING PAIR MEMBER, DETECTING ENZYME ACTIVITY WHEN ANALYTE BINDS TO ONE PAIR MEMBER INTERFERING WITH ORIGINAL BINDING DADE BEHRING MARBURG GMBH (DE) 1999-07-06 US disclosed
EP-0532187-B1 Homogeneous immunoassays using enzyme inhibitors BEHRINGWERKE AG (DE) 1996-10-30 EP disclosed
EP-0532187-A1 Homogeneous immunoassays using enzyme inhibitors BEHRINGWERKE Aktiengesellschaft (DE) 1993-03-17 EP disclosed