SCHEMBL6857747

SCHEMBL6857747

CS(=O)(=O)Nc1ccc(F)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.52
ADRA2C P18825 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
NR3C1 P04150 2/20 0.48
NR3C2 P08235 2/20 0.48
AR P10275 2/20 0.48
GRM4 Q14833 1/20 0.45
KIF11 P52732 2/20 0.43
SLC22A12 Q96S37 4/20 0.42
ACLY P53396 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1627994 0.81 SLC22A12 (0.49) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL2129695 0.80 GRM4 (0.45) PGRNR3C1NR3C2ARGRM4
SCHEMBL13065706 0.79 SLC22A12 (0.43) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL3173181 0.78 GRM4 (0.48) PGRARGRM4ABCG2ALDH1A1
SCHEMBL6863684 0.78 ALDH1A1 (0.60) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL2678340 0.77 SLC22A12 (0.62) PGRNR3C1NR3C2ARKIF11
SCHEMBL12018117 0.75 ADRA2C (0.54) PGRADRA2CADRA1AADRA1BKIF11
SCHEMBL6223374 0.75 GRM4 (0.44) PGRGRM4SLC22A12ABCG2HSP90AA1
SCHEMBL6223375 0.75 GRM4 (0.44) PGRGRM4SLC22A12ABCG2HSP90AA1
SCHEMBL4624565 0.75 TRPV4 (0.43) PGRNR3C1NR3C2ARSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973730-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-06-16 EP disclosed
WO-2002072760-A2 PCRA HELICASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-19 WO disclosed
US-6294531-B1 AMINOALKANOLS AS BLOOD COAGULANTS SMITHKLINE BEECHAM CORPORATION 2001-09-25 US disclosed
CN-1259120-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2000-07-05 CN disclosed
EP-0973730-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-26 EP disclosed
WO-1998045255-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-15 WO disclosed