SCHEMBL46705

SCHEMBL46705

O=[N+]([O-])c1cc(Br)ccc1Oc1cc(Br)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.47
ALOX15 P16050 2/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSPB1 P04792 3/20 0.41
PDE7A Q13946 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL47017 0.81 L3MBTL1 (0.55) TTRL3MBTL1ABCB1ABCC1SMN1; SMN2
SCHEMBL7524 0.79 HPGD (0.62) ALOX15MAPK1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL31572456 0.79 HPGD (0.62) ALOX15MAPK1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL347489 0.79 ALOX15 (0.66) ALOX15ALOX12MAPK1L3MBTL1SMN1; SMN2
SCHEMBL30688242 0.79 ALOX15 (0.66) ALOX15ALOX12MAPK1L3MBTL1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28313840 0.78 HPGD (0.60) ALOX15MAPK1HSD17B10L3MBTL1ABCB1
SCHEMBL27515978 0.77 HSPB1 (0.49) ALOX15ALOX12MAPK1SMN1; SMN2MAPT
SCHEMBL1128860 0.76 HPSE (0.56) TTRSMN1; SMN2LMNAMAPTMEN1
SCHEMBL20160408 0.76 HSPB1 (0.72) L3MBTL1MAPTMEN1KMT2AHTT
SCHEMBL8075197 0.76 HPSE (0.55) TTRMAPK1L3MBTL1LMNAMAPT

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-2012003642-A1 FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-01-12 WO disclosed