SCHEMBL8625854

SCHEMBL8625854

CCCCCOS(=O)(=O)c1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTB4R Q15722 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TLR8 Q9NR97 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 4/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35

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
SCHEMBL8927146 0.94 CA2 (0.38) CA2ALDH1A1LMNAMAPTGAA
SCHEMBL8598916 0.83 TXNRD1 (0.44) ALDH1A1LMNAMAPTGAACYP1A2
SCHEMBL8566984 0.81 CA1 (0.39) CA2ALDH1A1LMNAMAPTCYP1A2
SCHEMBL8597322 0.81 NCF1 (0.48) ALDH1A1LMNAMAPTGAATLR8
SCHEMBL8596305 0.81 CA12 (0.47) ALDH1A1LMNAMAPTGAACYP1A2
SCHEMBL8630906 0.81 ALDH1A1 (0.43) CA2ALDH1A1LMNAMAPTGAA
SCHEMBL8623968 0.79 MAPT (0.37) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL8926779 0.76 TLR8 (0.41) CA2ALDH1A1LMNAMAPTGAA
SCHEMBL8629877 0.76 LMNA (0.38) CA2ALDH1A1LMNAMAPTGAA
SCHEMBL8926837 0.76 LMNA (0.38) CA2ALDH1A1LMNAMAPTGAA

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed