SCHEMBL7106466

SCHEMBL7106466

O=[N+]([O-])c1ccc(Br)c2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
HTT P42858 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.49
AXL P30530 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIPK2 Q9H2X6 1/20 0.45
CHUK O15111 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CTSB P07858 2/20 0.40
GSK3B P49841 1/20 0.38
HASPIN Q8TF76 1/20 0.38

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
SCHEMBL31451862 1.00 MAPT (0.54) MAPTHTTTDP1GAAL3MBTL1
SCHEMBL246756 0.93 MAPT (0.58) MAPTHTTTDP1GAAL3MBTL1
SCHEMBL31162406 0.93 MAPT (0.58) MAPTHTTTDP1GAAL3MBTL1
SCHEMBL11817125 0.87 MAPT (0.64) MAPTHTTTDP1GAAL3MBTL1
SCHEMBL7987246 0.84 MAPT (0.50) MAPTHTTTDP1GAAL3MBTL1
SCHEMBL6212179 0.82 MAPT (0.52) MAPTHTTTDP1GAAL3MBTL1
SCHEMBL1351778 0.79 MAPT (0.56) MAPTHTTTDP1GAAL3MBTL1
SCHEMBL5921938 0.79 CTSB (0.61) MAPTHTTTDP1GAAL3MBTL1
SCHEMBL3577339 0.79 MAPT (0.52) MAPTHTTTDP1GAAL3MBTL1
SCHEMBL13483429 0.79 MAPT (0.52) MAPTHTTTDP1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6500954-B1 ONE POT PROCESS OF BROMINATION AND NITRATION OF ISOQUINOLINE TO PRODUCE SUCH AS 5-BROMO-8-NITROISOQUINOLINE NEUROSEARCH A/S (DK) 2002-12-31 US claimed
EP-1089976-B1 METHOD OF PREPARING 5- OR 8-BROMOISOQUINOLINE DERIVATIVES NEUROSEARCH AS (DK) 2003-09-24 EP disclosed
US-6500954-B1 ONE POT PROCESS OF BROMINATION AND NITRATION OF ISOQUINOLINE TO PRODUCE SUCH AS 5-BROMO-8-NITROISOQUINOLINE NEUROSEARCH A/S (DK) 2002-12-31 US disclosed
EP-1089976-A1 METHOD OF PREPARING 5- OR 8-BROMOISOQUINOLINE DERIVATIVES NEUROSEARCH A/S (DK) 2001-04-11 EP disclosed
WO-1999067218-A2 METHOD OF PREPARING 5- OR 8-BROMOISOQUINOLINE DERIVATIVES NEUROSEARCH A/S (DK) 1999-12-29 WO disclosed