SCHEMBL11294731

SCHEMBL11294731

CC(O)CSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ CRBN Q96SW2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL3798822 0.87 PDE7A (0.47) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL10024451 0.84 PDE7A (0.40) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL10024498 0.80 PDE7A (0.42) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL11202237 0.78 PDE7A (0.49) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL11297209 0.78 MAPT (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL11292807 0.78 MAPT (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL18614898 0.78 PDE7A (0.51) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL7293896 0.78 PDE7A (0.51) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL3386571 0.78 MEN1 (0.53) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL8610040 0.77 KDM4E (0.52) PDE7ASMN1; SMN2ALDH1A1MAPTMEN1

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-4342859-A Bis(aminophenylthioalkyl)terephthalate and hardener for polyurethane elastomer thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-03 — — US disclosed
Send feedback