SCHEMBL28075571

SCHEMBL28075571

NOS(=O)(=O)CCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
CA12 O43570 2/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CDC25B P30305 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GAA P10253 1/20 0.43
NOTUM Q6P988 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 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
SCHEMBL20224993 0.82 LMNA (0.62) LMNACA1CA2CA9CA12
SCHEMBL1177836 0.79 ALDH1A1 (0.73) LMNAALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL12103765 0.79 LMNA (0.62) LMNAALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL8694060 0.78 ALDH1A1 (0.61) LMNACA1CA2CA9CA12
SCHEMBL394046 0.78 LMNA (0.55) LMNACA1CA2CA9CA12
SCHEMBL13248936 0.78 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL958928 0.78 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL1201220 0.77 LMNA (0.60) LMNACA1CA2CA9CA12
SCHEMBL1199453 0.77 LMNA (0.60) LMNACA1CA2CA9CA12
Hydrochloric Acid SCHEMBL8649091 0.77 ALDH1A1 (0.59) LMNACA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008283-B The preparation method of tauryl amine hydrochlorate 常州市阳光药业有限公司 2018-03-16 CN claimed
CN-106008283-B The preparation method of tauryl amine hydrochlorate 常州市阳光药业有限公司 2018-03-16 CN disclosed
CN-106008283-A Preparation method of taurylamine hydrochloride 常州市阳光药业有限公司 2016-10-12 CN disclosed