SCHEMBL11518080

SCHEMBL11518080

Nc1ccc(OS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.56
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 6/20 0.46
GPR17 Q13304 1/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 1/20 0.44
MAOA P21397 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 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
SCHEMBL11520293 0.89 MAPT (0.51) FFAR4KMT2AMEN1POLBALDH1A1
SCHEMBL5036438 0.88 CA12 (0.51) FFAR4KMT2AMEN1POLBALDH1A1
SCHEMBL10741844 0.87 ALDH1A1 (0.47) FFAR4KMT2AMEN1POLBALDH1A1
SCHEMBL11663270 0.87 TDP1 (0.54) KMT2AMEN1POLBALDH1A1PKM
SCHEMBL5036037 0.87 ALDH1A1 (0.47) FFAR4KMT2AMEN1POLBALDH1A1
SCHEMBL5033435 0.87 ALDH1A1 (0.47) FFAR4KMT2AMEN1POLBALDH1A1
SCHEMBL11628716 0.87 TSHR (0.58) KMT2AMEN1POLBALDH1A1PKM
SCHEMBL11627411 0.87 SMN1; SMN2 (0.51) FFAR4KMT2AMEN1POLBALDH1A1
SCHEMBL10783122 0.87 FFAR4 (0.53) FFAR4KMT2AMEN1POLBALDH1A1
SCHEMBL11623279 0.85 SMN1; SMN2 (0.53) FFAR4KMT2AMEN1POLBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed
US-4069325-A 3-Carbalkoxyamino-1H-2,1,4-benzothiadiazine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-17 US disclosed
US-3996368-A Anthelmintically active 2-carbalkoxyamino-5(6)-phenyl sulfonyloxy benzimidazoles HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed