SCHEMBL7044723

SCHEMBL7044723

Cc1ccc(OC(=O)C2c3ccccc3N(CC(=O)OS(=O)(=O)C(F)(F)F)c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 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
SCHEMBL7048914 0.90 ALDH1A1 (0.41) CYP1A2CYP2C19KMT2AMEN1NPSR1
SCHEMBL7047551 0.87 PPARG (0.37) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7049410 0.83 MEN1 (0.34) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL7046746 0.83 MEN1 (0.34) KMT2AMEN1L3MBTL1BCHEALDH1A1
SCHEMBL7051084 0.83 PKM (0.40) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7046766 0.83
SCHEMBL7047676 0.82 MEN1 (0.38) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL7048350 0.82 MRGPRX4 (0.33) CYP2C9CYP2C19KMT2AMEN1L3MBTL1
SCHEMBL7049435 0.82 ALDH1A1 (0.35) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7046990 0.82 KMT2A (0.33) KMT2AMEN1L3MBTL1ALDH1A1HPGD

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-0609885-B1 Acridinium compounds and conjugates thereof MOCHIDA PHARM CO LTD (JP) 2003-04-16 EP disclosed
US-5594112-A CHEMILUMINESCENCE LABEL MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
US-5438139-A Chemiluminescent; useful as immunolochemical, DNA probe and receptor bininding assays MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
EP-0609885-A1 Acridinium compounds and conjugates thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1994-08-10 EP disclosed