SCHEMBL5043352

SCHEMBL5043352

CCCCc1ccc(CN(Cc2cccc(CC(=O)OC)c2)S(=O)(=O)c2cn(C)cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.64
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.40
FNTA P49354 6/20 0.39
FNTB P49356 6/20 0.39
POLB P06746 1/20 0.39
PGGT1B P53609 3/20 0.39

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
SCHEMBL4947275 0.90 TLR7 (0.52) TLR7MEN1KMT2ANR1H2NR1H3
SCHEMBL5050324 0.84 TLR7 (0.47) TLR7MEN1KMT2ANR1H2NR1H3
SCHEMBL5043018 0.81 TLR7 (0.50) TLR7MEN1KMT2ANR1H2NR1H3
SCHEMBL5725992 0.79 TLR7 (0.49) TLR7CNR2
SCHEMBL4196100 0.79 TLR7 (1.00) TLR7
SCHEMBL5727177 0.79 RAB9A (0.49) TLR7KMT2ACNR2
SCHEMBL5049387 0.78 PTGER2 (0.51) TLR7CNR2
SCHEMBL5724956 0.78 TLR7 (0.58) TLR7
SCHEMBL5043195 0.78 TLR7 (0.47) TLR7MEN1KMT2ANR1H2NR1H3
SCHEMBL6058798 0.77 MEN1 (0.52) TLR7MEN1KMT2ANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed