SCHEMBL6809339

SCHEMBL6809339

CC(C(=O)Oc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
ESR2 Q92731 1/20 0.44
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7599002 0.85 KDM4E (0.54) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL11622271 0.84 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL1985401 0.82 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL26963087 0.82 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL15346268 0.82 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL27456673 0.80 KMT2A (0.53) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL28328240 0.79 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL10547837 0.79 L3MBTL1 (0.47) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL7423312 0.78 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL27379526 0.78 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014161-A1 pH-indicator based assay for selective enzymes THERMOGEN, INC. 2004-01-22 US disclosed