SCHEMBL8994024

SCHEMBL8994024

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
STING1 Q86WV6 1/20 0.32
MMP14 P50281 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL8993977 0.86 L3MBTL1 (0.38)
SCHEMBL8994021 0.82 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8993963 0.78 MMP14 (0.38) MMP14PDE4DHDAC8
SCHEMBL150487 0.76 ADRA2A (0.37)
SCHEMBL743428 0.73 NSD2 (0.42)
SCHEMBL30612673 0.73 NSD2 (0.42)
SCHEMBL151025 0.73 NSD2 (0.42)
SCHEMBL8993992 0.72 SMN1; SMN2 (0.42) MMP14
SCHEMBL5512906 0.70 S100B (0.38)
SCHEMBL150568 0.69 S100B (0.51) HDAC8

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