SCHEMBL2565385

SCHEMBL2565385

O=C(Nc1ccc(Br)cc1)c1cccc(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.78
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 1/20 0.65
HTT P42858 1/20 0.65
KCNK3 O14649 2/20 0.65
KCNK9 Q9NPC2 2/20 0.65
KCNQ3 O43525 2/20 0.62
KCNQ2 O43526 2/20 0.62
KCNE1 P15382 2/20 0.62
KCNQ1 P51787 2/20 0.62
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
KDM4E B2RXH2 1/20 0.62
KCNQ5 Q9NR82 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
ADORA3 P0DMS8 1/20 0.59
SLC6A3 Q01959 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CASP3 P42574 1/20 0.58

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
SCHEMBL3674558 0.88 KCNK3 (0.71) TP53MEN1KMT2AMAPTHTT
SCHEMBL27180026 0.88 TP53 (1.00) TP53MEN1KMT2ARAB9ANPC1
SCHEMBL3048252 0.86 EPHX1 (0.70) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3786882 0.85 KCNK3 (0.87) MEN1KMT2AMAPTHTTKCNK3
SCHEMBL3675929 0.85 TP53 (0.86) TP53MEN1KMT2AMAPTHTT
SCHEMBL13802448 0.84 MEN1 (0.78) MEN1KMT2AMAPTHTTKCNK3
SCHEMBL27383416 0.84 MEN1 (0.65) TP53MEN1KMT2AMAPTHTT
SCHEMBL3454686 0.84 MEN1 (0.65) MEN1KMT2AMAPTHTTKCNK3
SCHEMBL8363018 0.84 SMN1; SMN2 (0.76) TP53MEN1KMT2AMAPTHTT
SCHEMBL3675463 0.83 KCNK3 (0.84) MEN1KMT2AMAPTHTTKCNK3

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
EP-2382194-A2 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE RESVERLOGIX CORP. (CA) 2011-11-02 EP disclosed