SCHEMBL8220138

SCHEMBL8220138

CC(C)(C)C(=O)c1ccc(CN2CCN(C(=O)c3ccc(Oc4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cn4)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 10/20 0.57
HRH3 Q9Y5N1 5/20 0.48
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
MAPK14 Q16539 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3035668 0.90 PRKAA2 (0.58) PRKAA2HRH3PRKAB2PRKAG1PRKAA1
SCHEMBL3138233 0.85 PRKAA2 (0.53) PRKAA2HRH3MAPK14KCNQ3KCNQ2
SCHEMBL3129054 0.83 PRKAA2 (0.51) PRKAA2MAPK14KCNQ3KCNQ2KCNE1
SCHEMBL3143111 0.83 PRKAA2 (0.50) PRKAA2HRH3KCNQ3KCNQ2KCNE1
Hydrochloric Acid SCHEMBL3133196 0.82 PRKAA2 (0.50) PRKAA2MAPK14KCNQ3KCNQ2KCNE1
SCHEMBL12094954 0.81 SMN1; SMN2 (0.40) PRKAA2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3147307 0.81 MEN1 (0.57) PRKAA2MEN1KMT2ASMN1; SMN2
SCHEMBL3139468 0.81 PRKAA2 (0.53) PRKAA2HRH3PRKAB2PRKAG1PRKAA1
SCHEMBL3147389 0.80 MEN1 (0.57) PRKAA2MEN1KMT2A
Bromide SCHEMBL3051765 0.79 STAT3 (0.49) PRKAA2

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-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US claimed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US claimed