SCHEMBL4065073

SCHEMBL4065073

O=C1c2ccccc2-c2c1cccc2C1=NCCN1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.55
MAOA P21397 1/20 0.45

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
SCHEMBL3394014 0.82 NISCH (0.65) NISCH
SCHEMBL9579892 0.78 NISCH (0.81) NISCH
SCHEMBL4066263 0.74 NISCH (0.62) NISCH
SCHEMBL2077293 0.74 NISCH (0.50) NISCH
SCHEMBL9575177 0.71 NISCH (1.00) NISCH
SCHEMBL16863098 0.71 NISCH (0.76) NISCH
SCHEMBL11208372 0.71 NISCH (0.54) NISCH
SCHEMBL1626317 0.70 NISCH (1.00) NISCH
SCHEMBL2949149 0.70 NISCH (0.62) NISCHMAOA
SCHEMBL80782 0.70 NISCH (0.62) NISCH

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-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
EP-2078009-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 WO disclosed