SCHEMBL11435996

SCHEMBL11435996

CC(=O)Nc1cc([N+](=O)[O-])c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ GAA P10253 4/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ MAPT P10636 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 4/20 0.46
▸ ALDH3A1 P30838 1/20 0.45
▸ ENPP2 Q13822 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ PLCG1 P19174 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA12 O43570 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
SCHEMBL8670530 0.81 L3MBTL1 (0.57) HTTALDH1A1GAAL3MBTL1MAPT
SCHEMBL8423468 0.81 GPR35 (0.54) HTTALDH1A1GAAL3MBTL1MAPT
SCHEMBL21487311 0.78 HTT (0.52) HTTALDH1A1GAAMAPTTDP1
SCHEMBL6777847 0.78 HTT (0.52) HTTALDH1A1GAAMAPTTDP1
SCHEMBL5677351 0.77 ENPP2 (0.49) ALDH1A1GAAMAPTTDP1LMNA
SCHEMBL13419245 0.76 KMT2A (0.49) ALDH1A1GAAL3MBTL1MAPTTDP1
SCHEMBL10628543 0.75 GPR35 (0.67) ALDH1A1GAAL3MBTL1MAPTTDP1
SCHEMBL27303263 0.75 HTT (0.59) HTTALDH1A1GAAL3MBTL1MAPT
SCHEMBL7813230 0.74 CASP6 (0.57) ALDH1A1GAAL3MBTL1MAPTTDP1
SCHEMBL10825017 0.74 HTT (0.52) HTTALDH1A1GAAL3MBTL1MAPT

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-4217304-A Continuous reduction process CIBA-GEIGY AG (CH) 1980-08-12 — — US disclosed
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