SCHEMBL8973221

SCHEMBL8973221

CCCCSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
ALPG P10696 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE7A Q13946 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CRBN Q96SW2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GSTP1 P09211 1/20 0.42
GSTM2 P28161 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
SCHEMBL1347642 0.95 PTGS2 (0.49) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL9453031 0.94 PTGS2 (0.50) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL7764834 0.90 MEN1 (0.50) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL20787703 0.86 TSHR (0.47) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL6675904 0.84 MEN1 (0.42) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL3386571 0.82 MEN1 (0.53) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2416893 0.81 ALDH1A1 (0.40) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL11453241 0.80 ALDH1A1 (0.47) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL8324749 0.79 ALDH1A1 (0.50) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7458037 0.79 CA2 (0.57) KMT2AMEN1MAPTALDH1A1LMNA

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
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed