SCHEMBL6399634

SCHEMBL6399634

C=CCN(C)CC=CCOc1ccc2c(c1)CCCN2S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.38
TP53 P04637 4/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
MGAT2 Q10469 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6400906 0.94 LSS (0.37) LSSTP53LMNAMAPTHRH3
SCHEMBL6400289 0.90 MAPT (0.41) LSSTP53LMNAMAPTHRH3
SCHEMBL6403698 0.88 MAPT (0.37) LSSTP53LMNAMAPTHRH3
SCHEMBL6401256 0.87 LSS (0.45) LSSHRH3MEN1KMT2A
SCHEMBL6403927 0.87 MAPT (0.40) LSSTP53LMNAMAPTMEN1
SCHEMBL6403822 0.86 LSS (0.47) LSSHRH3MEN1KMT2A
SCHEMBL6400492 0.86 LSS (0.47) LSSHRH3MEN1KMT2A
SCHEMBL5635668 0.85 HRH3 (0.41) LSSTP53MAPTHRH3RORC
SCHEMBL5638296 0.84 MAPT (0.47) LSSTP53LMNAMAPT
SCHEMBL6403814 0.84 NLRP3 (0.41) LSSTP53MAPTMEN1KMT2A

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
EP-1603872-A1 S-[2-[(1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE HYDROCHLORIDE CRYSTALLINE SALT Pharmacia Corporation (US) 2005-12-14 EP disclosed
WO-2004080956-A1 S-[2-[(1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE HYDROCHLORIDE CRYSTALLINE SALT PHARMACIA CORPORATION (US) 2004-09-23 WO disclosed