SCHEMBL16679077

SCHEMBL16679077

O=C(O)c1ccccc1N=Nc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.67
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
MAPT P10636 6/20 0.57
NPSR1 Q6W5P4 3/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MYC P01106 1/20 0.56
HSP90AA1 P07900 2/20 0.55
PSMD14 O00487 1/20 0.55
MMP2 P08253 1/20 0.55
THRB P10828 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
AKR1C4 P17516 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
POLB P06746 3/20 0.46
PDE4A P27815 1/20 0.45

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
SCHEMBL16679144 1.00 IDE (0.67) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL38662590 0.82 IDE (0.73) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL16678886 0.81 IDE (0.67) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL21067348 0.81 KMT2A (0.71) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL16678885 0.81 IDE (0.67) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL29401042 0.80 IDE (1.00) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL12100493 0.80 IDE (1.00) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL453285 0.80 IDE (1.00) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL453284 0.80 IDE (1.00) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL169230 0.79 IDE (0.79) IDEMEN1KMT2AMAPTNPSR1

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
US-20150125889-A1 IN VITRO DETECTION OF MICROORGANISMS WITH AZOREDUCTASE ACTIVITY BIOMERIEUX (FR) 2015-05-07 US disclosed