SCHEMBL10181093

SCHEMBL10181093

CCCOc1ccc(CN2CCN(C(=O)c3cc4ccc(Oc5ccc(N(C)C(=O)c6ccc(C(F)(F)F)cc6)cn5)cc4n3C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 20/20 0.60

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 SCHEMBL3059816 0.99 STAT3 (0.59) STAT3
SCHEMBL10180586 0.95 STAT3 (0.54) STAT3
SCHEMBL10180700 0.95 STAT3 (0.61) STAT3
Bromide SCHEMBL3061334 0.94 STAT3 (0.59) STAT3
Bromide SCHEMBL3057119 0.94 STAT3 (0.61) STAT3
Bromide SCHEMBL3060858 0.94 STAT3 (0.60) STAT3
SCHEMBL10180984 0.94 STAT3 (0.67) STAT3
Bromide SCHEMBL3057698 0.93 STAT3 (0.57) STAT3
Bromide SCHEMBL3061259 0.93 STAT3 (0.66) STAT3
Bromide SCHEMBL3060644 0.92 STAT3 (0.66) STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP claimed