SCHEMBL5820108

SCHEMBL5820108

O=[N+]([O-])c1ccc(Br)c2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 6/20 0.39
CYP3A4 P08684 2/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
CYP2D6 P10635 1/20 0.37
GPR35 Q9HC97 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL24328520 0.96 ALDH1A1 (0.39) MAPTMEN1GFERKMT2ASMN1; SMN2
SCHEMBL30773544 0.96 ALDH1A1 (0.39) MAPTMEN1GFERKMT2ASMN1; SMN2
SCHEMBL30503607 0.88 MAPT (0.47) MAPTMEN1GFERKMT2ASMN1; SMN2
SCHEMBL9452622 0.88 MAPT (0.47) MAPTMEN1GFERKMT2ASMN1; SMN2
SCHEMBL29375067 0.78 KDM4E (0.41) MAPTKMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4846663 0.78 KDM4E (0.41) MAPTKMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6610894 0.78 HTR2C (0.48) MAPTALDH1A1CYP3A4BCHEACHE
SCHEMBL7117117 0.77 TDP1 (0.50) MAPTMEN1GFERKMT2ASMN1; SMN2
SCHEMBL31731530 0.76 MAPT (0.44) MAPTMEN1GFERKMT2ASMN1; SMN2
SCHEMBL10463782 0.76 HTR2C (0.40) HTR2AHTR2CHTR2BKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006023158-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. (US) 2006-03-02 WO disclosed