SCHEMBL7444565

SCHEMBL7444565

CC(C)(C)OC(=O)N1CCC(c2c(S(=O)(=O)CC[Si](C)(C)C)[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 2/20 0.50
GPR119 Q8TDV5 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLK1 P53350 1/20 0.41
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7448066 0.81 CCNT1 (0.34) BRD3CCNT1CDK9TLR8TLR7
SCHEMBL7453129 0.80 HTR6 (0.41) BRD3CCNT1CDK9TLR8TLR7
SCHEMBL4674696 0.76 SCN9A (0.44) BRD3GPR119SMN1; SMN2PLK1LMNA
SCHEMBL24330047 0.73 BRD3 (0.51) BRD3SMN1; SMN2PLK1
SCHEMBL2567932 0.72 CCR3 (0.53) BRD3GPR119SMN1; SMN2
SCHEMBL4674153 0.72 HSD11B1 (0.60) BRD3
SCHEMBL1299150 0.71 SMN1; SMN2 (0.52) BRD3SMN1; SMN2LMNA
SCHEMBL4774609 0.69 OPRM1 (0.54) BRD3SMN1; SMN2TLR8TLR7LMNA
SCHEMBL5726423 0.68 BRD3 (0.55) BRD3GPR119
SCHEMBL8296791 0.68 HSD11B1 (0.66) BRD3

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