SCHEMBL6658076

SCHEMBL6658076

CC(O)(C(=O)Nc1ccc(C(F)(F)F)cc1)C(C#N)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 4/20 0.51
ABCC8 Q09428 4/20 0.51
KCNJ11 Q14654 4/20 0.51
KCNJ8 Q15842 4/20 0.51
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR2 P34972 1/20 0.48
AR P10275 5/20 0.46
CYP2C19 P33261 2/20 0.46
ABCB11 O95342 1/20 0.46
ALB P02768 1/20 0.46
PGR P06401 1/20 0.46
ADRA2C P18825 1/20 0.46
GHSR Q92847 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL3953118 0.87 CYP2C19 (0.52) LMNAMEN1KMT2ACNR2AR
SCHEMBL2782039 0.77 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL28077906 0.72 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL4846044 0.70 CYP2C19 (0.51) LMNAMEN1KMT2ASMN1; SMN2CNR2
SCHEMBL8407102 0.69 LMNA (0.66) LMNAMEN1KMT2ACNR2AR
SCHEMBL24769840 0.68 DHODH (0.50) LMNAMEN1KMT2AMAPTHTT
SCHEMBL28777075 0.68 LMNA (0.54) LMNAMEN1KMT2ACNR2CYP2C19
SCHEMBL8866328 0.68 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL9819042 0.68 MAOB (0.47) LMNAMEN1KMT2ASMN1; SMN2RORC
SCHEMBL9818907 0.68 MAOB (0.47) LMNAMEN1KMT2ASMN1; SMN2RORC

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
EP-1439823-A1 PHARMACEUTICAL FORMULATION COMPRISING (R)-BICALUTAMIDE AstraZeneca UK Limited (GB) 2004-07-28 EP claimed
WO-2003032950-A1 PHARMACEUTICAL FORMULATION COMPRISING (R) -BICALUTAMIDE ASTRAZENECA AB (SE) 2003-04-24 WO claimed