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SCHEMBL10182182

SCHEMBL10182182

COc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5cc[c]c(C(N)=O)n5)ccc4n3C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.51
▸ STAT3 P40763 13/20 0.49
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ PIK3CA P42336 2/20 0.45
▸ PRKAA2 P54646 2/20 0.45
▸ LSS P48449 1/20 0.44

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
SCHEMBL3065446 0.84 STAT3 (0.54) PTGS2STAT3DRD2DRD3PIK3CA
SCHEMBL3052004 0.83 STAT3 (0.62) STAT3
SCHEMBL3057622 0.82 STAT3 (0.53) PTGS2STAT3DRD2DRD3PIK3CA
SCHEMBL3065449 0.82 STAT3 (0.53) PTGS2STAT3DRD2DRD3PIK3CA
Bromide SCHEMBL3067852 0.81 STAT3 (0.53) PTGS2STAT3DRD2DRD3PIK3CA
Bromide SCHEMBL3063277 0.81 STAT3 (0.53) PTGS2STAT3DRD2DRD3PIK3CA
Maleic Acid SCHEMBL3064256 0.80 STAT3 (0.51) PTGS2STAT3DRD2DRD3PIK3CA
SCHEMBL3064421 0.79 STAT3 (0.52) PTGS2STAT3DRD2DRD3PIK3CA
SCHEMBL3060710 0.78 STAT3 (0.51) PTGS2STAT3DRD2DRD3PIK3CA
Fumaric Acid SCHEMBL3064261 0.76 STAT3 (0.49) PTGS2STAT3DRD2DRD3PIK3CA

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
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 — — EP disclosed