SCHEMBL28775114

SCHEMBL28775114

CC(=O)Nc1ccc(Sc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ KMT2A Q03164 8/20 0.56
▸ MAPT P10636 7/20 0.56
▸ MEN1 O00255 6/20 0.56
▸ HTT P42858 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ PAX8 Q06710 1/20 0.54
▸ POLB P06746 3/20 0.53
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.50
▸ AGTR1 P30556 1/20 0.49
▸ DDX3X O00571 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL7143990 0.86 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AMAPTMEN1HTT
SCHEMBL3902453 0.86 KMT2A (0.73) SMN1; SMN2KMT2AMAPTMEN1HTT
SCHEMBL2957229 0.83 KMT2A (0.54) SMN1; SMN2KMT2AMAPTMEN1HTT
Dinitrophenylene SCHEMBL27738113 0.80 SMN1; SMN2 (0.82) SMN1; SMN2KMT2AMAPTMEN1HTT
SCHEMBL2955716 0.80 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMAPTMEN1HTT
SCHEMBL1248559 0.79 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMAPTMEN1HTT
SCHEMBL6796308 0.79 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMAPTMEN1HTT
SCHEMBL31405188 0.79 HSP90AA1 (0.77) KMT2AHTTLMNAALDH1A1HSP90AA1
SCHEMBL11356136 0.79 HSP90AA1 (0.77) KMT2AHTTLMNAALDH1A1HSP90AA1
SCHEMBL20591230 0.78 HSP90AA1 (0.61) SMN1; SMN2KMT2AMAPTMEN1HPGD

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
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 — — CN disclosed
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