SCHEMBL7542397

SCHEMBL7542397

Cc1cc(C)c(C(S)C(=O)c2ccccc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5999756 0.81 CES2 (0.53) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL4809206 0.81 PGR (0.46) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL7543173 0.81 CES2 (0.44) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL29130635 0.79 CES2 (0.52) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL7542392 0.79 LMNA (0.42) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL28559895 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL28559893 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL22367586 0.75 CES2 (0.44) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL8756326 0.75 HSP90AA1 (0.44) CES2CES1TDP1L3MBTL1LMNA
SCHEMBL28626734 0.74 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed