SCHEMBL7048914

SCHEMBL7048914

Cc1cccc(OC(=O)C2c3ccccc3N(CC(=O)OS(=O)(=O)C(F)(F)F)c3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PPARG P37231 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.38
CCKBR P32239 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL7044723 0.90 CYP1A2 (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2BCHE
SCHEMBL7047551 0.83 PPARG (0.37) ALDH1A1KMT2AMEN1PPARGBCHE
SCHEMBL7049410 0.82 MEN1 (0.34) ALDH1A1KMT2AMEN1SMN1; SMN2CCKBR
SCHEMBL7046746 0.82 MEN1 (0.34) ALDH1A1KMT2AMEN1SMN1; SMN2BCHE
SCHEMBL7047503 0.81 MEN1 (0.31) ALDH1A1KMT2AMEN1HPGD
SCHEMBL7046990 0.81 KMT2A (0.33) ALDH1A1KMT2AMEN1L3MBTL1HPGD
SCHEMBL7047676 0.81 MEN1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL7048350 0.81 MRGPRX4 (0.33) ALDH1A1KMT2AMEN1PPARGL3MBTL1
SCHEMBL7049435 0.81 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL7049801 0.80 MRGPRX4 (0.34) ALDH1A1KMT2AMEN1LMNAL3MBTL1

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