SCHEMBL10180822

SCHEMBL10180822

Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4O)cn3)cc21

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 20/20 0.63

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 SCHEMBL3052322 0.99 STAT3 (0.62) STAT3
Bromide SCHEMBL3061209 0.94 STAT3 (0.56) STAT3
Hydrochloric Acid SCHEMBL3045709 0.94 STAT3 (0.63) STAT3
Hydrochloric Acid SCHEMBL3063810 0.93 STAT3 (0.62) STAT3
Hydrochloric Acid SCHEMBL3057312 0.93 STAT3 (0.62) STAT3
SCHEMBL10181168 0.93 STAT3 (0.63) STAT3
SCHEMBL15295461 0.92 STAT3 (0.70) STAT3
Bromide SCHEMBL3062353 0.91 STAT3 (0.69) STAT3
Hydrochloric Acid SCHEMBL3066268 0.89 STAT3 (0.64) STAT3
Bromide SCHEMBL3046851 0.89 STAT3 (0.55) 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 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