SCHEMBL7450455

SCHEMBL7450455

CS(=O)(=O)c1[nH]c2ccc(C#N)cc2c1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TLR9 Q9NR96 5/20 0.39
TLR8 Q9NR97 5/20 0.39
TLR7 Q9NYK1 5/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 7/20 0.37
HTR2A P28223 2/20 0.37
HTR1A P08908 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHUK O15111 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
AR P10275 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35

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
SCHEMBL7442844 0.82 HTR6 (0.40) HTR6L3MBTL1TLR9TLR8TLR7
SCHEMBL7444087 0.76 SMN1; SMN2 (0.44)
SCHEMBL7808827 0.72 L3MBTL1 (0.41) HTR6L3MBTL1MEN1KMT2ASLC6A4
SCHEMBL4674205 0.68 HTR6 (0.51) HTR6SLC6A4HTR1AKCNH2GABRP
SCHEMBL7843747 0.68 HTR6 (0.50) HTR6L3MBTL1MEN1KMT2ASLC6A4
SCHEMBL7855641 0.68 L3MBTL1 (0.39) HTR6L3MBTL1MEN1KMT2ASLC6A4
SCHEMBL2270899 0.67 SLC6A4 (0.67) HTR6SLC6A4HTR2AHTR1ADRD1
SCHEMBL30545930 0.65 CHUK (0.68) L3MBTL1MEN1KMT2ACHUKAR
SCHEMBL606784 0.65 CHUK (0.68) L3MBTL1MEN1KMT2ACHUKAR
SCHEMBL29402283 0.65 CHUK (0.68) L3MBTL1MEN1KMT2ACHUKAR

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-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed