SCHEMBL7442844

SCHEMBL7442844

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
TLR9 Q9NR96 10/20 0.37
TLR8 Q9NR97 10/20 0.37
TLR7 Q9NYK1 10/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHUK O15111 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 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
SCHEMBL7453129 0.85 HTR6 (0.41) HTR6TLR9TLR8TLR7SLC6A4
SCHEMBL7450455 0.82 HTR6 (0.40) HTR6TLR9TLR8TLR7L3MBTL1
SCHEMBL7448879 0.80 FNTA (0.41)
SCHEMBL4670879 0.71 HTR6 (0.45) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL7444565 0.68 BRD3 (0.50) TLR8TLR7
SCHEMBL7808827 0.64 L3MBTL1 (0.41) HTR6L3MBTL1MEN1KMT2ACHUK
SCHEMBL7843747 0.64 HTR6 (0.50) HTR6L3MBTL1MEN1KMT2ASLC6A4
SCHEMBL6618224 0.62 BCHE (0.38) L3MBTL1MEN1KMT2ASLC6A4
SCHEMBL7855641 0.62 L3MBTL1 (0.39) HTR6L3MBTL1MEN1KMT2ACHUK
SCHEMBL735680 0.62 CHUK (0.48) L3MBTL1MEN1KMT2ACHUKSLC6A4

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