SCHEMBL8993973

SCHEMBL8993973

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNF P01375 6/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LTA4H P09960 1/20 0.32
CYP3A4 P08684 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
SCHEMBL8993965 0.97 ALDH1A1 (0.38) L3MBTL1ALOX5SMN1; SMN2GALR3CYP1A2
SCHEMBL8994021 0.86 PSEN1 (0.33) L3MBTL1ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL8993977 0.81 L3MBTL1 (0.38) L3MBTL1ALOX5SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL195345 0.79 MEN1 (0.45) L3MBTL1ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL8993946 0.75 CYP1A2 (0.46) L3MBTL1ALOX5SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL743427 0.73 ALDH1A1 (0.39) L3MBTL1ALDH1A1KMT2AMAPK1TDP1
SCHEMBL5512903 0.73 MEN1 (0.44) L3MBTL1ALDH1A1KMT2ATDP1CYP2C9
SCHEMBL14570550 0.72 SMN1; SMN2 (0.51) L3MBTL1ALOX5SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL8993953 0.72 CYP1A2 (0.45) L3MBTL1ALOX5SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL21533566 0.71 ALOX5 (0.42) L3MBTL1ALOX5SMN1; SMN2CYP1A2ALDH1A1

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