SCHEMBL9541852

SCHEMBL9541852

C=CC(=O)OCCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
ALDH1A1 P00352 9/20 0.38
KMT2A Q03164 7/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
MEN1 O00255 4/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 3/20 0.38
THRB P10828 2/20 0.38
PTBP1 P26599 1/20 0.38
MAPK1 P28482 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 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
SCHEMBL9541856 1.00 MAPT (0.38) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL623412 0.85 MMP14 (0.47) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL623413 0.85 MMP14 (0.47) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL22974905 0.84 MAPT (0.39) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL8949473 0.84 MAPT (0.39) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL9538082 0.82 MAPT (0.48) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL9538084 0.82 MAPT (0.48) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL8341136 0.80 MAPT (0.46) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL23028973 0.79 MAPT (0.40) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL10039848 0.79 THRB (0.44) MAPTALDH1A1KMT2AL3MBTL1MEN1

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
WO-1993003073-A1 AZO POLYMERS FOR REVERSIBLE OPTICAL STORAGE QUEEN'S UNIVERSITY AT KINGSTON (CA) 1993-02-18 WO disclosed
US-5173381-A Azo polymers for reversible optical storage QUEEN'S UNIVERSITY (CA) 1992-12-22 US disclosed