SCHEMBL11520293

SCHEMBL11520293

Nc1cc(OS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 2/20 0.44
GPR17 Q13304 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 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
SCHEMBL11518080 0.89 FFAR4 (0.56) MAPTLMNAALDH1A1MAPK1TDP1
SCHEMBL11521387 0.87 MAPK1 (0.48) MAPTLMNAALDH1A1MAPK1TDP1
SCHEMBL11841874 0.80 TDP1 (0.56) MAPTLMNAALDH1A1MAPK1TDP1
SCHEMBL10783122 0.78 FFAR4 (0.53) MAPTLMNAALDH1A1TDP1TSHR
SCHEMBL5036438 0.77 CA12 (0.51) MAPTLMNAALDH1A1MAPK1TDP1
SCHEMBL30060469 0.77 MAPT (0.58) MAPTLMNAALDH1A1MAPK1TDP1
SCHEMBL7807114 0.77 MAPT (0.58) MAPTLMNAALDH1A1MAPK1TDP1
SCHEMBL11490967 0.77 KMT2A (0.56) MAPTLMNAALDH1A1MAPK1TDP1
SCHEMBL11663270 0.76 TDP1 (0.54) MAPTLMNAALDH1A1MAPK1TDP1
SCHEMBL5033435 0.76 ALDH1A1 (0.47) MAPTLMNAALDH1A1TDP1TSHR

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
US-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed