SCHEMBL30608975

SCHEMBL30608975

O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])Oc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 4/20 0.44
CYP1A2 P05177 3/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
HPGD P15428 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
BLM P54132 1/20 0.44
GRIN1 Q05586 1/20 0.44

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
SCHEMBL10688958 0.82 AHR (0.54) MAPTPOLBMEN1KMT2AMCL1
SCHEMBL8688932 0.78 TSHR (0.55) MAPTPOLBMEN1KMT2ACYP3A4
SCHEMBL1625765 0.77 MAPT (0.74) MAPTPOLBMEN1KMT2AMCL1
SCHEMBL718255 0.77 MAPT (0.74) MAPTPOLBMEN1KMT2AMCL1
SCHEMBL8313566 0.74 CYP1A2 (0.76) MAPTPOLBMEN1KMT2AMCL1
SCHEMBL13197693 0.73 TDP1 (0.50) MAPTPOLBMEN1KMT2ACYP3A4
SCHEMBL772686 0.72 ALDH1A1 (0.59) MAPTPOLBMCL1CYP3A4CYP1A2
SCHEMBL21628230 0.72 ALOX5 (0.55) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL6989713 0.71 CYP1A2 (0.47) MAPTPOLBMEN1KMT2AMCL1
SCHEMBL3756498 0.69 TDP1 (0.56) MAPTPOLBMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117106116-B MFU-4l catalyst containing Nd and Al elements, preparation method thereof and application thereof in preparing polybutadiene 传化智联股份有限公司 2024-02-13 CN disclosed
CN-117106116-A MFU-4l catalyst containing Nd and Al elements, preparation method thereof and application thereof in preparing polybutadiene 传化智联股份有限公司 2023-11-24 CN disclosed