SCHEMBL8993977

SCHEMBL8993977

CCOC(=O)CCCN(C)c1ccc(N)c(S(=O)(O)=S)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TNF P01375 11/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL8994024 0.86 PSEN1 (0.32)
SCHEMBL8993973 0.81 L3MBTL1 (0.38) L3MBTL1ALOX5SMN1; SMN2CYP1A2TNF
SCHEMBL150487 0.79 ADRA2A (0.37) L3MBTL1CA12CA1CA2CA9
SCHEMBL8993965 0.78 ALDH1A1 (0.38) L3MBTL1ALOX5SMN1; SMN2CYP1A2TNF
SCHEMBL8993946 0.76 CYP1A2 (0.46) L3MBTL1ALOX5SMN1; SMN2CYP1A2TNF
SCHEMBL14570550 0.73 SMN1; SMN2 (0.51) L3MBTL1ALOX5SMN1; SMN2CYP1A2TNF
SCHEMBL151025 0.73 NSD2 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL743428 0.73 NSD2 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL8993953 0.72 CYP1A2 (0.45) L3MBTL1ALOX5SMN1; SMN2CYP1A2TNF
SCHEMBL5512906 0.72 S100B (0.38) L3MBTL1ALDH1A1KMT2ATDP1

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