Sugi Predict

Sugi Predict / Compounds / SCHEMBL28791772

SCHEMBL28791772

SCHEMBL28791772

CC(C(=O)C(C)c1cn(S(=O)(=O)c2ccccc2)c2ccc(-c3ccccc3)cc12)c1cn(S(=O)(=O)c2ccccc2)c2ccc(-c3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.48
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PLK1 P53350 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ TNF P01375 1/20 0.39

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
SCHEMBL28261287 0.85 LMNA (0.60) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL28791773 0.83 HTR6 (0.48) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL1839403 0.79 LMNA (0.71) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL3029775 0.74 PPARG (0.62) HTR6
SCHEMBL950466 0.73 AKR1C3 (0.50) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL950467 0.73 AKR1C3 (0.50) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL3034439 0.72 PPARG (0.57) HTR6MEN1KMT2A
SCHEMBL946542 0.71 LMNA (0.59) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL946541 0.71 LMNA (0.59) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL1042564 0.71 HTR6 (0.51) HTR6LMNASMN1; SMN2PLK1MEN1

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
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 — — CN disclosed
Send feedback