SCHEMBL9636147

SCHEMBL9636147

Cc1ccc(S(=O)(=O)O)cc1NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
LMNA P02545 5/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALOX12 P18054 2/20 0.47
MAPK1 P28482 1/20 0.47
PDE2A O00408 1/20 0.47
PDE5A O76074 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
PDE4A P27815 1/20 0.47
BLM P54132 1/20 0.47
PDE1B Q01064 1/20 0.47

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
SCHEMBL9477929 0.80 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL9680143 0.79 NT5E (0.53) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL709336 0.79 ALDH1A1 (0.66) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL30165662 0.79 ALDH1A1 (0.66) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL11350087 0.78 MAPT (0.56) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL9477900 0.77 ALDH1A1 (0.64) ALDH1A1LMNAHTTSMN1; SMN2MAPT
Water SCHEMBL13857776 0.77 ALDH1A1 (0.64) ALDH1A1LMNAHTTSMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL11656592 0.77 ALDH1A1 (0.64) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL9477915 0.77 ALDH1A1 (0.64) ALDH1A1LMNAHTTSMN1; SMN2MAPT
Water SCHEMBL2833444 0.77 ALDH1A1 (0.64) ALDH1A1LMNAHTTSMN1; SMN2MAPT

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-5175261-A Useful for coloring cellulose materials, animal furs or leather IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-29 US disclosed