SCHEMBL10181040

SCHEMBL10181040

CC(C)Oc1ccc(CN2CCN(C(=O)c3cc4ccc(Oc5ccc(NC(=O)c6ccc(C(F)(F)F)cc6Cl)cn5)cc4n3C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 20/20 0.57

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 SCHEMBL3062150 0.99 STAT3 (0.57) STAT3
Hydrochloric Acid SCHEMBL3047182 0.95 STAT3 (0.56) STAT3
Bromide SCHEMBL3061036 0.94 STAT3 (0.55) STAT3
Hydrochloric Acid SCHEMBL3061532 0.94 STAT3 (0.57) STAT3
Bromide SCHEMBL10181914 0.93 STAT3 (0.57) STAT3
Hydrochloric Acid SCHEMBL3057282 0.93 STAT3 (0.57) STAT3
Hydrochloric Acid SCHEMBL3065869 0.93 STAT3 (0.56) STAT3
SCHEMBL3052983 0.93 STAT3 (0.57) STAT3
Hydrochloric Acid SCHEMBL3063810 0.93 STAT3 (0.62) STAT3
SCHEMBL3057605 0.92 STAT3 (0.57) 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