SCHEMBL10181017

SCHEMBL10181017

CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(CF)CF)cc5)CC4)n(C)c3c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 20/20 0.59

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 SCHEMBL3057158 0.99 STAT3 (0.58) STAT3
SCHEMBL10180850 0.94 STAT3 (0.56) STAT3
SCHEMBL15295464 0.94 STAT3 (0.60) STAT3
SCHEMBL10180853 0.94 STAT3 (0.60) STAT3
Bromide SCHEMBL3051888 0.93 STAT3 (0.55) STAT3
Bromide SCHEMBL3057465 0.93 STAT3 (0.59) STAT3
Bromide SCHEMBL3057203 0.93 STAT3 (0.59) STAT3
Hydrochloric Acid SCHEMBL3064383 0.92 STAT3 (0.55) STAT3
SCHEMBL10181403 0.91 STAT3 (0.47) STAT3
SCHEMBL10180984 0.91 STAT3 (0.67) 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