SCHEMBL6187312

SCHEMBL6187312

O=[N+]([O-])c1[c]cccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
AHR P35869 5/20 0.41
EIF4E P06730 4/20 0.38
PTGER1 P34995 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
DHFR P00374 1/20 0.35
CYP1B1 Q16678 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
RORB Q92753 1/20 0.33
HSD11B1 P28845 1/20 0.33
FAAH O00519 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
SCHEMBL6191701 0.83 PTGS2 (0.40) EIF4E
SCHEMBL6192325 0.82 ALDH1A1 (0.45) EIF4EDHFR
SCHEMBL6232168 0.81 ALDH1A1 (0.36) HSD17B10
SCHEMBL1746864 0.78 NPBWR1 (0.37)
SCHEMBL6683239 0.78 HTR7 (0.42) HSD17B10
SCHEMBL3535919 0.77 ALDH1A1 (0.53) HSD17B10
SCHEMBL5150349 0.77 TSHR (0.48)
SCHEMBL8074755 0.77 HPRT1 (0.33)
SCHEMBL6194171 0.76 PTGS2 (0.40) EIF4E
SCHEMBL6192267 0.76 HPRT1 (0.46) HSD17B10EIF4E

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