SCHEMBL8993965

SCHEMBL8993965

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX5 P09917 1/20 0.34
GALR3 O60755 1/20 0.33
LTA4H P09960 1/20 0.33
CYP4Z1 Q86W10 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
TNF P01375 5/20 0.32
MAPT P10636 1/20 0.32

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 0.97 L3MBTL1 (0.38) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL8994021 0.83 PSEN1 (0.33) ALDH1A1KMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL8993967 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL195345 0.78 MEN1 (0.45) ALDH1A1KMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL8993977 0.78 L3MBTL1 (0.38) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL8993953 0.76 CYP1A2 (0.45) ALDH1A1TDP1L3MBTL1SMN1; SMN2CYP4F2
SCHEMBL8993978 0.75 CYP1A2 (0.44) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL743427 0.73 ALDH1A1 (0.39) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL5512903 0.72 MEN1 (0.44) ALDH1A1KMT2ATDP1L3MBTL1MEN1
SCHEMBL8993946 0.72 CYP1A2 (0.46) ALDH1A1L3MBTL1SMN1; SMN2CYP4F2CYP4A11

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