SCHEMBL7047802

SCHEMBL7047802

CC(=O)c1ccc(C)c([N+](=O)[O-])c1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 6/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3107602 0.85 TSHR (0.50) ALDH1A1TDP1TSHRKMT2AMAPT
SCHEMBL2381586 0.85 TSHR (0.54) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL11695700 0.84 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL14702316 0.84 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL3347421 0.84 ALDH1A1 (0.47) ALDH1A1TDP1TSHRKMT2AMAPT
SCHEMBL12702875 0.82 KMT2A (0.40) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL10169776 0.82 KMT2A (0.40) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL25233424 0.81 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL15398667 0.81 SMN1; SMN2 (0.50) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL14440019 0.79 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMEN1KMT2A

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