SCHEMBL5706236

SCHEMBL5706236

CCCCCNS(=O)(=O)c1cccc(B(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 7/20 0.52
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
EPHX2 P34913 1/20 0.49
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
RECQL P46063 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL29953713 0.96 ALDH1A1 (0.56) LMNAMAPK1HTTALDH1A1LPL
SCHEMBL3968323 0.96 ALDH1A1 (0.56) LMNAMAPK1HTTALDH1A1LPL
SCHEMBL934547 0.83 KMT2A (0.47) LMNAMAPK1HTTALDH1A1LPL
SCHEMBL1465414 0.82 LMNA (0.55) LMNAMAPK1HTTALDH1A1EPHX2
SCHEMBL21988575 0.82 ALDH1A1 (0.49) LMNAALDH1A1EPHX2KMT2APKM
SCHEMBL520372 0.82 CYP2C19 (0.61) LMNAALDH1A1KMT2APKMKDM4E
SCHEMBL29953841 0.82 CYP2C19 (0.61) LMNAALDH1A1KMT2APKMKDM4E
SCHEMBL31014170 0.81 LMNA (0.56) LMNAMAPK1HTTALDH1A1TSHR
SCHEMBL11706540 0.81 KMT2A (0.76) LMNAMAPK1HTTALDH1A1EPHX2
SCHEMBL11704757 0.79 KMT2A (0.73) LMNAMAPK1HTTALDH1A1EPHX2

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
EP-1562961-B1 HALO SULFONYL ARYL BORONATES NOVO NORDISK AS (DK) 2006-10-25 EP disclosed
EP-1562961-A1 HALO SULFONYL ARYL BORONATES NOVO NORDISK A/S (DK) 2005-08-17 EP disclosed
US-6872849-B2 Halo sulfonyl aryl boronates NOVO NORDISK A/S (DK) 2005-03-29 US disclosed
US-20040116701-A1 Halo sulfonyl aryl boronates NOVO NORDISK A/S (DK) 2004-06-17 US disclosed
WO-2004041833-A1 HALO SULFONYL ARYL BORONATES NOVO NORDISK A/S (DK) 2004-05-21 WO disclosed