SCHEMBL7453129

SCHEMBL7453129

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.41
TLR9 Q9NR96 7/20 0.40
TLR8 Q9NR97 7/20 0.40
TLR7 Q9NYK1 7/20 0.40
BRD3 Q15059 3/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
KCNH2 Q12809 1/20 0.36
KDR P35968 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
CASP3 P42574 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34
CASP7 P55210 1/20 0.34

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 0.85 HTR6 (0.40) HTR6TLR9TLR8TLR7SLC6A4
SCHEMBL7448066 0.83 CCNT1 (0.34) TLR9TLR8TLR7BRD3HTR2A
SCHEMBL7444565 0.80 BRD3 (0.50) TLR8TLR7BRD3CCNT1CDK9
SCHEMBL373751 0.72 HTR6 (0.69) HTR6TLR9TLR8TLR7BRD3
SCHEMBL4670567 0.69 HTR6 (0.61) HTR6SLC6A4KCNH2
SCHEMBL7450455 0.66 HTR6 (0.40) HTR6TLR9TLR8TLR7SLC6A4
Sulfamate SCHEMBL27480106 0.66 HTR6 (0.56) HTR6SLC6A4KCNH2
SCHEMBL4078326 0.62 PARP1 (0.48) HTR6TLR9TLR8TLR7SLC6A4
SCHEMBL2567532 0.62 HTR6 (0.58) HTR6HTR2AHTR2CKCNH2
SCHEMBL24330059 0.61 HTR2A (0.47) BRD3SLC6A4HTR2AGSK3B

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