SCHEMBL8994021

SCHEMBL8994021

CN(CCCC(=O)OC(C)(C)C)c1ccc(N)c(SS(=O)(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MMP14 P50281 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE4A P27815 2/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
HDAC8 Q9BY41 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
SCHEMBL8993973 0.86 L3MBTL1 (0.38) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL8993965 0.83 ALDH1A1 (0.38) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL8994024 0.82 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8993963 0.76 MMP14 (0.38) MMP14ALDH1A1CYP2C9CYP2C19L3MBTL1
SCHEMBL195345 0.76 MEN1 (0.45) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL743427 0.73 ALDH1A1 (0.39) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL127303 0.73 ALDH1A1 (0.39) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL8993992 0.70 SMN1; SMN2 (0.42) MMP14MEN1CYP2C9CYP2C19KMT2A
SCHEMBL5512903 0.70 MEN1 (0.44) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL150570 0.69 ALDH1A1 (0.58) MEN1ALDH1A1HSP90AA1CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510668-A2 Phenothiazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP claimed
US-5532171-A PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
US-5344928-A Phenothiazine compounds for cancer treatment or immunoassay using chemiluminescence TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-06 US disclosed
EP-0510668-A2 Phenothiazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP disclosed