SCHEMBL4653670

SCHEMBL4653670

Nc1ccc(Br)c(F)c1.Nc1ccc(Br)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.45
KCNH2 Q12809 3/20 0.45
KDM1B Q8NB78 2/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
KIF11 P52732 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
ADRA2B P18089 1/20 0.35
CYP3A4 P08684 2/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL110499 1.00
SCHEMBL29531746 0.79
SCHEMBL148505 0.79
SCHEMBL31287823 0.77 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL22914553 0.77 RAB9A (0.54) KDM1AKCNH2KDM1BALDH1A1MAPT
SCHEMBL29407502 0.75
SCHEMBL632670 0.75
SCHEMBL14413 0.75
SCHEMBL29393564 0.75
SCHEMBL9701 0.75

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-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 WO disclosed