SCHEMBL8548146

SCHEMBL8548146

O=[N+]([O-])c1ccc2c(c1)CCC2Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.44
ADRA2A P08913 3/20 0.44
GRIN2B Q13224 4/20 0.44
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CHRNA7 P36544 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR9 Q9NR96 1/20 0.41
NOS3 P29474 1/20 0.40

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
SCHEMBL27847882 0.87 HSP90AA1 (0.45) PNMTADRA2AGRIN2BCHRNB4CHRNA3
SCHEMBL1096656 0.81 HSP90AA1 (0.41) PNMTADRA2AGRIN2BCHRNB4CHRNA3
SCHEMBL2244560 0.80 LAP3 (0.48) PNMTADRA2AGRIN2BCHRNB4CHRNA3
SCHEMBL1097849 0.80 TDP2 (0.46) PNMTADRA2AGRIN2BLMNAADRA2B
SCHEMBL7509358 0.78 HSP90AA1 (0.47) PNMTADRA2AGRIN2BCHRNB4CHRNA3
SCHEMBL10760641 0.76 NPSR1 (0.47) PNMTADRA2AGRIN2BCHRNB4CHRNA3
SCHEMBL20500978 0.76 PTPRC (0.45) PNMTADRA2AGRIN2BLMNAMEN1
SCHEMBL1811557 0.76 PTPRC (0.45) PNMTADRA2AGRIN2BLMNAMEN1
SCHEMBL7462285 0.76 ALDH1A1 (0.43) PNMTADRA2AGRIN2BCHRNB4CHRNA3
SCHEMBL31533490 0.75 HSP90AA1 (0.41) PNMTADRA2AGRIN2BCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536208-B1 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS RES CORP TECHNOLOGIES INC (US) 1998-01-21 EP disclosed
EP-0536208-A4 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS 1993-05-05 EP disclosed
EP-0536208-A1 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-04-14 EP disclosed
WO-1992000281-A1 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-01-09 WO disclosed