SCHEMBL6189229

SCHEMBL6189229

O=[N+]([O-])c1[c]ccc(N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
AKR1C3 P42330 1/20 0.46
MITF O75030 2/20 0.46
MAPK1 P28482 4/20 0.45
NTSR1 P30989 1/20 0.45
IDE P14735 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL28989562 0.84 MAPT (0.51) MAPTALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL589356 0.83 SIRT6 (0.55) MAPTALDH1A1LMNAMAPK1
SCHEMBL28891048 0.79 CHRNA7 (0.45) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL589160 0.78 LMNA (0.59) MAPTALDH1A1SMN1; SMN2CYP2C9HPGD
SCHEMBL3282015 0.78 POLB (0.54) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL589217 0.77 MAPT (0.38) MAPTALDH1A1POLBHPGDMAPK1
SCHEMBL591314 0.75 MAPT (0.45) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL541488 0.74 LMNA (0.47) MAPTALDH1A1SMN1; SMN2LMNAAKR1C3
SCHEMBL18036523 0.73 MAPT (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL16655434 0.72 HTT (0.47) MAPTALDH1A1SMN1; SMN2NPSR1LMNA

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
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 WO disclosed