SCHEMBL27518366

SCHEMBL27518366

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)c1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.51
PDE2A O00408 1/20 0.51
PDE5A O76074 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
APEX1 P27695 1/20 0.51
PDE4A P27815 1/20 0.51
BLM P54132 1/20 0.51
PDE1B Q01064 1/20 0.51
PMP22 Q01453 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE7A Q13946 1/20 0.51
PDE1C Q14123 1/20 0.51
PDE7B Q9NP56 1/20 0.51
NFKBIA P25963 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL27518264 0.87 L3MBTL1 (0.45) L3MBTL1POLBALDH1A1CYP3A4PDE2A
SCHEMBL8848558 0.80 ALDH1A1 (0.70) L3MBTL1POLBALDH1A1CYP3A4PDE2A
SCHEMBL28102213 0.79 KMT2A (0.51) POLBALDH1A1SMN1; SMN2TXNRD1LMNA
SCHEMBL10798598 0.79 TXNRD1 (0.42) L3MBTL1POLBALDH1A1CYP3A4NFKBIA
SCHEMBL10704691 0.78 GAA (0.42) L3MBTL1POLBALDH1A1SMN1; SMN2TXNRD1
Hydrochloric Acid SCHEMBL28102214 0.76 TXNRD1 (0.49) POLBALDH1A1SMN1; SMN2TXNRD1LMNA
SCHEMBL3730122 0.75 ALDH1A1 (0.50) L3MBTL1POLBALDH1A1CYP3A4PDE2A
SCHEMBL14419314 0.75 TXNRD1 (0.57) ALDH1A1SMN1; SMN2TXNRD1TSHRLMNA
SCHEMBL8124230 0.75 ALDH1A1 (0.52) L3MBTL1POLBALDH1A1CYP3A4PDE2A
SCHEMBL2657251 0.74 ALDH1A1 (0.43) L3MBTL1POLBALDH1A1CYP3A4SMN1; SMN2

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
CN-1264367-A Nitrophenyl-sulfonyl-imidazoles and use thereof for controlling vegetable and animal pests BAYER AG (DE) 2000-08-23 CN disclosed