SCHEMBL6190813

SCHEMBL6190813

O=[N+]([O-])c1[c]cc(-c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.39
TDP1 Q9NUW8 2/20 0.35
PDPK1 O15530 1/20 0.35
PSD A5PKW4 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NOTUM Q6P988 1/20 0.34
CNR1 P21554 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DHODH Q02127 1/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6239108 0.78 PSD (0.34) CNR2TDP1PDPK1PSDCA1
SCHEMBL6193406 0.76 NPC1 (0.34) CNR2TDP1MAPTALDH1A1
SCHEMBL711877 0.75 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL6501996 0.72 CNR2 (0.41) CNR2NOTUMCNR1DHODH
SCHEMBL3542595 0.72 POLB (0.43) TDP1CA1CA2MAPTALDH1A1
SCHEMBL4451869 0.71 HSD11B1 (0.35) CNR2ALDH1A1
SCHEMBL2040645 0.69 MAPK1 (0.41) TDP1MAPTALDH1A1POLBMEN1
SCHEMBL2497558 0.68 TSHR (0.45) TDP1NOTUMHSP90AA1MAPTALDH1A1
SCHEMBL27515936 0.67 FBP1 (0.39) TDP1MAPTALDH1A1POLBNPSR1
SCHEMBL2495684 0.67 S100A4 (0.56) TDP1CA1CA2MAPTALDH1A1

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