SCHEMBL11773684

SCHEMBL11773684

COCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PKM P14618 2/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ GSTO1 P78417 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ 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
SCHEMBL11068177 0.92 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL11024486 0.86 LMNA (0.49) MAPK1ALDH1A1TDP1MEN1KMT2A
SCHEMBL11134848 0.82 ALDH1A1 (0.43) MAPK1ALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL10892666 0.81 ALOX15 (0.50) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL12631870 0.81 MAPK1 (0.66) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL11595542 0.80 CA1 (0.52) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL11451900 0.80 S1PR4 (0.53) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL29451515 0.76 MEN1 (0.52) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL11294647 0.75 CA9 (0.59) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL26757983 0.74 ALDH1A1 (0.56) MAPK1ALDH1A1MEN1KMT2ALMNA

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-3931142-A Heterocyclic containing disazo compounds CIBA-GEIGY AG (CH) 1976-01-06 — — US disclosed
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