SCHEMBL6511461

SCHEMBL6511461

O=[N+]([O-])c1ccc(N2CCCC2[C@H](O)C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.63
SIRT6 Q8N6T7 1/20 0.50
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
PGR P06401 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4D Q08499 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
SCHEMBL224233 1.00 AR (0.63) ARSIRT6LMNAHTTMAPT
SCHEMBL16617911 1.00 AR (0.63) ARSIRT6LMNAHTTMAPT
SCHEMBL223509 1.00 AR (0.63) ARSIRT6LMNAHTTMAPT
SCHEMBL2741037 1.00 AR (0.63) ARSIRT6LMNAHTTMAPT
SCHEMBL223508 1.00 AR (0.63) ARSIRT6LMNAHTTMAPT
SCHEMBL224234 1.00 AR (0.63) ARSIRT6LMNAHTTMAPT
SCHEMBL5651913 1.00 AR (0.63) ARSIRT6LMNAHTTMAPT
SCHEMBL15115389 0.87 AR (0.52) ARSIRT6LMNAHTTMAPT
SCHEMBL15115388 0.87 AR (0.52) ARSIRT6LMNAHTTMAPT
SCHEMBL5652802 0.81 AR (0.52) ARSIRT6LMNAHTTMAPT

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
WO-2005090282-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-29 WO disclosed