SCHEMBL4947084

SCHEMBL4947084

O=Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F.O=Cc1cccc(C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.40
ALDH1A1 P00352 7/20 0.37
PDE7A Q13946 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 5/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
KIF11 P52732 1/20 0.35
POLB P06746 1/20 0.34
NTSR1 P30989 1/20 0.34
RORC P51449 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP2 Q13822 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL3353163 0.90 ERN1 (0.44) ERN1ALDH1A1PDE7ALMNATSHR
SCHEMBL622545 0.81 ERN1 (0.44) ERN1LMNAKIF11MEN1KMT2A
SCHEMBL2460265 0.73 ERN1 (0.53) ERN1ALDH1A1PDE7ALMNAMAPT
SCHEMBL28223645 0.73 ERN1 (0.45) ERN1ALDH1A1LMNAMAPTMEN1
SCHEMBL30292007 0.73 ERN1 (0.53) ERN1ALDH1A1PDE7ALMNAMAPT
SCHEMBL25317841 0.71 PTGES (0.43) ALDH1A1LMNAMAPTHTTPOLB
SCHEMBL12725905 0.71 ERN1 (0.49) ERN1ALDH1A1LMNATSHRMAPT
SCHEMBL28995330 0.71 ALDH1A1 (0.45) ALDH1A1PDE7ALMNATSHRMAPT
SCHEMBL30185402 0.71 ALDH1A1 (0.45) ALDH1A1PDE7ALMNATSHRMAPT
SCHEMBL1531153 0.70 ALDH1A1 (0.47) ALDH1A1PDE7ATSHRMAPTTP53

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-1910321-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007004959-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE ASTRAZENECA AB (SE) 2007-01-11 WO disclosed