SCHEMBL5016207

SCHEMBL5016207

COC(=O)c1cccc2c1N(C(=O)O)CC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
ALDH1A1 P00352 3/20 0.44
PRMT5 O14744 3/20 0.43
WDR77 Q9BQA1 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPA1 O75762 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2783445 0.85 TSHR (0.49) NOTUMALDH1A1MEN1KMT2ALMNA
SCHEMBL553450 0.82 HDAC1 (0.42) NOTUMALDH1A1PRMT5WDR77MEN1
SCHEMBL30195056 0.82 HDAC1 (0.42) NOTUMALDH1A1PRMT5WDR77MEN1
SCHEMBL20597169 0.81 NOTUM (0.40) NOTUMALDH1A1MEN1KMT2ALMNA
SCHEMBL17802218 0.79 ALDH1A1 (0.43) NOTUMALDH1A1PRMT5WDR77MEN1
SCHEMBL5015055 0.77 POLB (0.48) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL23293671 0.77 PTGER4 (0.54) MEN1KMT2A
SCHEMBL6646141 0.77 L3MBTL1 (0.43) ALDH1A1PRMT5WDR77MEN1KMT2A
SCHEMBL17802204 0.76 PRMT5 (0.38) NOTUMALDH1A1PRMT5WDR77MEN1
SCHEMBL4666060 0.73 NOTUM (0.43) NOTUMALDH1A1PRMT5WDR77MEN1

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-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
EP-1793826-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-06-13 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 EP disclosed
WO-2006034317-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-30 WO disclosed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 WO disclosed