SCHEMBL13865231

SCHEMBL13865231

Cc1cc(Br)cc(Br)c1N1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.39
HSP90AA1 P07900 3/20 0.39
CCR6 P51684 3/20 0.39
FAAH O00519 3/20 0.39
MAPT P10636 4/20 0.38
PARK7 Q99497 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NLRP1 Q9C000 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2767775 0.86 MGLL (0.46) MGLLHSP90AA1CCR6FAAHPARK7
Maleic Anhydride SCHEMBL8720227 0.76 MGLL (0.38) MGLLHSP90AA1CCR6FAAHPARK7
SCHEMBL2906559 0.73 HSP90AA1 (0.58) MGLLHSP90AA1CCR6FAAHMAPT
SCHEMBL19511890 0.73 CCR6 (0.46) MGLLHSP90AA1CCR6FAAHMAPT
SCHEMBL28883417 0.72 MGLL (0.44) MGLLHSP90AA1CCR6FAAHTP53
SCHEMBL28883572 0.72 MGLL (0.44) MGLLHSP90AA1CCR6FAAHALDH1A1
SCHEMBL9418757 0.71 CCR6 (0.61) MGLLHSP90AA1CCR6FAAH
SCHEMBL9839190 0.69 MGLL (0.43) MGLLHSP90AA1CCR6FAAHPKM
SCHEMBL9837786 0.69 MGLL (0.43) MGLLHSP90AA1CCR6FAAHMAPT
SCHEMBL10489959 0.69 ALOX15 (0.45) MGLLHSP90AA1CCR6FAAHALDH1A1

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
US-7531664-B2 Flame retarding compounds CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-05-12 US disclosed
US-20070155869-A1 Mono-functional monomers and methods for use thereof DESIGNER MOLECULES, INC. 2007-07-05 US disclosed
US-20070155869-A1 Mono-functional monomers and methods for use thereof DESIGNER MOLECULES, INC. 2007-07-05 US disclosed