SCHEMBL8234656

SCHEMBL8234656

COOCc1ccc(C)c(-c2ccc(NC(=O)C3CCC3)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.54

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
SCHEMBL8235267 0.87 ABL1 (0.53) ABL1
SCHEMBL10288049 0.75 ABL1 (0.78) ABL1
SCHEMBL12283288 0.73 ABL1 (0.53) ABL1
SCHEMBL8232417 0.73 PTK2 (0.46) ABL1
SCHEMBL12241698 0.73 ABL1 (0.55) ABL1
SCHEMBL8235132 0.72 PIK3CD (0.46) ABL1
SCHEMBL13170688 0.71 NPC1 (0.54) ABL1
SCHEMBL15681775 0.70 ABL1 (0.54) ABL1
SCHEMBL14245163 0.70 ABL1 (1.00) ABL1
SCHEMBL14297747 0.70 ABL1 (1.00) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed