SCHEMBL470318

SCHEMBL470318

O=[N+](O)c1ccc(S(=O)(=O)n2cnc3ccc(Br)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.50
HTT P42858 5/20 0.44
ALDH3A1 P30838 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
NOD1 Q9Y239 1/20 0.44
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
ALOX5 P09917 1/20 0.41
MAPK1 P28482 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
SCHEMBL12271942 0.89 ALDH1A1 (0.51) FABP4HTTALDH3A1L3MBTL1POLB
SCHEMBL15074499 0.82 HTT (0.66) FABP4HTTALDH3A1L3MBTL1POLB
SCHEMBL19911406 0.74 ALOX5 (0.60) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL12576406 0.70 HDAC8 (0.41) HTTL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL14601697 0.69 ALDH3A1 (0.68) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL19911391 0.68 MET (0.53) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL19911385 0.67 ALDH1A1 (0.67) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL19848546 0.66 ALDH3A1 (0.71) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL6169770 0.66 SMN1; SMN2 (0.74) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL6170599 0.66 HTT (0.61) HTTALDH3A1L3MBTL1POLBNOD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed