SCHEMBL16619045

SCHEMBL16619045

N#CCOc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
VCAM1 P19320 1/20 0.40
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 3/20 0.37
LMNA P02545 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL12936323 0.88 HTT (0.41) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL16619494 0.84 MAPT (0.42) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL4033049 0.82 MAPT (0.54) KMT2AMEN1MAPTTDP1VCAM1
SCHEMBL7401817 0.81 HTT (0.54) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL29171380 0.80 HTT (0.57) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL8322081 0.80 KMT2A (0.43) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL2911094 0.80 KMT2A (0.58) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL28342808 0.79 ERN1 (0.49) KMT2AMEN1MAPTTDP1VCAM1
SCHEMBL22117910 0.78 S1PR4 (0.44) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL31174878 0.78 S1PR4 (0.44) KMT2AMEN1L3MBTL1MAPTTDP1

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
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed