SCHEMBL11599256

SCHEMBL11599256

O=[N+]([O-])c1ccc(C2C=CC(c3ccccc3)([N+](=O)[O-])C=C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 3/20 0.39
CRHBP P24387 1/20 0.39
ATM Q13315 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
POLB P06746 2/20 0.36
MMP2 P08253 1/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL8655835 0.71 KCNA4 (0.40) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL6155288 0.68 KCNA4 (0.45) LMNAALDH1A1KMT2AMEN1CYP2C19
SCHEMBL2422556 0.68 KCNA4 (0.38) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL5983432 0.68 KCNA4 (0.38) LMNAALDH1A1KMT2AMEN1CES2
SCHEMBL16142353 0.68 ALDH1A1 (0.62) LMNAALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL11138785 0.67 LMNA (0.45) LMNAALDH1A1KMT2AMEN1HPGD
Bicarbonate SCHEMBL21906198 0.67 KCNA4 (0.37) LMNAALDH1A1KMT2AMEN1HPGD
Nitrobenzene SCHEMBL7748458 0.67 ALDH1A1 (0.94) LMNAALDH1A1KMT2AL3MBTL1MEN1
Benzene SCHEMBL28311584 0.66 ALDH1A1 (0.82) LMNAALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL3389675 0.66 KCNA4 (0.36) LMNAALDH1A1KMT2AMEN1HPGD

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-4079082-A Lasing dyes derived from ter-and quaterphenyl THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-03-14 US disclosed