SCHEMBL10180503

SCHEMBL10180503

CN(c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(C(Cc4ccccc4)C4=COCO4)CC2)n3C)nc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 14/20 0.45
SCN9A Q15858 5/20 0.41
PIK3CA P42336 1/20 0.39
PRKAA2 P54646 1/20 0.39

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
Bromide SCHEMBL3065086 0.99 STAT3 (0.44) STAT3SCN9APIK3CAPRKAA2
SCHEMBL3057097 0.86 STAT3 (0.39) STAT3SCN9A
SCHEMBL3065457 0.84 STAT3 (0.38) STAT3
SCHEMBL3056039 0.84 STAT3 (0.38) STAT3
SCHEMBL3064149 0.83 STAT3 (0.37) STAT3
Bromide SCHEMBL3045909 0.83 STAT3 (0.54) STAT3SCN9APIK3CAPRKAA2
SCHEMBL10180856 0.79 HRH3 (0.39) STAT3
SCHEMBL10180502 0.79 STAT3 (0.53) STAT3SCN9APIK3CAPRKAA2
Bromide SCHEMBL3060752 0.79 HRH3 (0.39) STAT3
SCHEMBL3066800 0.78 SCN9A (0.57) SCN9A

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