SCHEMBL6177741

SCHEMBL6177741

Cc1cccc(Cl)c1Oc1ccccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.51
SLC22A12 Q96S37 4/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
BCAT2 O15382 2/20 0.44
BCAT1 P54687 2/20 0.44
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
LMNA P02545 1/20 0.41
ADRB2 P07550 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIN1 Q13526 2/20 0.40
EZH2 Q15910 1/20 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
SCHEMBL5507928 0.81 POLB (0.50) ARPOLBGAATSHRLMNA
SCHEMBL5498981 0.81 AR (0.50) ARSLC22A12POLBGAATSHR
SCHEMBL28625665 0.78 AR (0.61) ARSLC22A12POLBGAATSHR
SCHEMBL5498436 0.77 AR (0.47) ARSLC22A12POLBGAATSHR
SCHEMBL11440814 0.76 RAB9A (0.48) ARGAATSHRHTR1ASLC6A2
SCHEMBL27937397 0.76 TSHR (0.47) ARSLC22A12POLBGAATSHR
SCHEMBL27937348 0.76 KDM4E (0.42) ARSLC22A12POLBGAAHTR1A
SCHEMBL4175286 0.75 AR (0.48) ARSLC22A12POLBGAATSHR
SCHEMBL7054403 0.73 GAA (0.64) ARSLC22A12POLBGAATSHR
SCHEMBL4173770 0.73 GAA (0.51) ARSLC22A12POLBGAATSHR

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-1399137-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-14 EP disclosed
EP-1387679-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2004-08-11 EP disclosed
EP-1399137-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-03-24 EP disclosed
EP-1387679-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-11 EP disclosed
WO-2002089793-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO disclosed
WO-2002089785-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO disclosed