SCHEMBL8993967

SCHEMBL8993967

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TNF P01375 5/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX5 P09917 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LTA4H P09960 1/20 0.34
DHFR P00374 2/20 0.33
CYP4Z1 Q86W10 1/20 0.33
NAMPT P43490 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
SCHEMBL8993977 0.97 L3MBTL1 (0.38) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL8994024 0.83 PSEN1 (0.32)
SCHEMBL8993965 0.81 ALDH1A1 (0.38) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL150487 0.78 ADRA2A (0.37) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL8993973 0.78 L3MBTL1 (0.38) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL8993953 0.77 CYP1A2 (0.45) ALDH1A1TDP1L3MBTL1SMN1; SMN2CYP4F2
SCHEMBL8993978 0.76 CYP1A2 (0.44) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL8993946 0.73 CYP1A2 (0.46) ALDH1A1L3MBTL1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL151025 0.72 NSD2 (0.42) ALDH1A1MAPK1KMT2ATDP1CA12
SCHEMBL743428 0.72 NSD2 (0.42) ALDH1A1MAPK1KMT2ATDP1CA12

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