SCHEMBL14281160

SCHEMBL14281160

[O-][S+]1c2ccccc2N(c2cccc(N3c4ccccc4[S+]([O-])c4ccccc43)c2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.38
MGLL Q99685 2/20 0.38
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
SCN2A Q99250 1/20 0.31

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 0.92
SCHEMBL14281159 0.85 HDAC6 (0.32) ALDH1A1
SCHEMBL19072058 0.78 MEN1 (0.43) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL13833019 0.78 PGR (0.32) MGLLALDH1A1
SCHEMBL13832945 0.78 CES2 (0.30) ALDH1A1
SCHEMBL14281164 0.76 HTR7 (0.35) MGLLALDH1A1
SCHEMBL19072064 0.74 CYP3A4 (0.31) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL17951555 0.73 MGLL (0.46) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL13833028 0.71 FAAH (0.34) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL341222 0.70 MAOA (0.43) ALDH1A1

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