SCHEMBL11594468

SCHEMBL11594468

COCCOc1cc(S(=O)(=O)O)c(N)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PRSS1 P07477 4/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ S1PR4 O95977 1/20 0.36

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
SCHEMBL11596631 0.95 ALDH1A1 (0.41) ALDH1A1MAPTHTTNSD2GAA
SCHEMBL11594691 0.85 MAPT (0.47) ALDH1A1MAPTNSD2GAAPLCG1
SCHEMBL10778005 0.84 ALDH1A1 (0.41) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL7521818 0.84 GAA (0.45) ALDH1A1MAPTHTTNSD2GAA
SCHEMBL9011781 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL11596939 0.82 MAPT (0.46) ALDH1A1MAPTNSD2GAAPLCG1
SCHEMBL11597174 0.82 GAA (0.41) ALDH1A1MAPTNSD2GAAPLCG1
SCHEMBL11593851 0.80 MAPT (0.47) ALDH1A1MAPTNSD2GAAPLCG1
SCHEMBL11596026 0.79 ALDH1A1 (0.48) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL11237924 0.78 GAA (0.45) ALDH1A1MAPTHTTNSD2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 — — US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 — — US disclosed
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