SCHEMBL4590980

SCHEMBL4590980

O=[N+]([O-])c1ccc(N2CC3CCCCC3C2)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.61
LMNA P02545 5/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
AR P10275 7/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
PGR P06401 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL961124 0.82 SIRT6 (0.77) SIRT6LMNAMAPTHTTAR
SCHEMBL12478451 0.81 SIRT6 (0.75) SIRT6LMNAMAPTHTTCYP1A2
SCHEMBL28137192 0.81 SIRT6 (0.75) SIRT6LMNAMAPTHTTCYP1A2
SCHEMBL17948818 0.81 SIRT6 (0.63) SIRT6LMNAMAPTHTTAR
SCHEMBL17948812 0.81 SIRT6 (0.63) SIRT6LMNAMAPTHTTAR
SCHEMBL29788610 0.81 SIRT6 (0.63) SIRT6LMNAMAPTHTTAR
SCHEMBL2838052 0.80 SIRT6 (0.65) SIRT6LMNAMAPTHTTAR
SCHEMBL2838057 0.80 SIRT6 (0.65) SIRT6LMNAMAPTHTTAR
SCHEMBL13158396 0.79 SIRT6 (0.68) SIRT6LMNAMAPTHTTAR
SCHEMBL3188776 0.78 ALDH1A1 (0.57) SIRT6LMNAMAPTHTTAR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379249-A4 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-01-09 EP claimed
EP-1379249-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-01-14 EP claimed
WO-2002067939-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-06 WO claimed