SCHEMBL14281159

SCHEMBL14281159

[O-][S+]1c2ccccc2N(c2ccc(N3c4ccccc4[S+]([O-])c4ccccc43)cc2)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.32
CES2 O00748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCHE P06276 1/20 0.31
GAA P10253 1/20 0.31
CES1 P23141 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.31
TLR9 Q9NR96 1/20 0.30

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
SCHEMBL14281161 0.89
SCHEMBL14281160 0.85 FAAH (0.38) ALDH1A1
SCHEMBL13833019 0.79 PGR (0.32) CES2ALDH1A1BCHEGAACES1
SCHEMBL13832945 0.79 CES2 (0.30) CES2ALDH1A1BCHEGAACES1
SCHEMBL14281164 0.77 HTR7 (0.35) ALDH1A1TLR9
SCHEMBL341222 0.74 MAOA (0.43) ALDH1A1GAACES1
SCHEMBL253239 0.71
SCHEMBL11841946 0.71 CYP3A4 (0.32)
SCHEMBL14281169 0.70 HTR2A (0.43) ALDH1A1NPSR1
SCHEMBL13022501 0.68 MGLL (0.39) ALDH1A1HPGD

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
US-20080018238-A1 Use Of Phenothiazine-S-Oxides And Phenothiazine -S,S-Dioxides In The Form Of Matrix Materials For Organic Light-Emitting Diodes BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed
US-20080018238-A1 Use Of Phenothiazine-S-Oxides And Phenothiazine -S,S-Dioxides In The Form Of Matrix Materials For Organic Light-Emitting Diodes BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed