SCHEMBL5706232

SCHEMBL5706232

CCCCN(C)S(=O)(=O)c1cccc(B(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
VCAM1 P19320 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
SERPINE1 P05121 1/20 0.39
TSHR P16473 1/20 0.39
ESR1 P03372 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL20245217 0.82 TDP1 (0.47) TDP1GAAALDH1A1KDM4EVCAM1
SCHEMBL5706226 0.81 HDAC3 (0.57) LPLLIPGTDP1ALDH1A1SMN1; SMN2
SCHEMBL29956809 0.78 RAB9A (0.51) ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL957571 0.78 RAB9A (0.51) ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL5190090 0.78 TDP1 (0.71) TDP1GAAALDH1A1MAPTESR1
SCHEMBL2317288 0.77 ALDH1A1 (0.65) GAAALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL20314705 0.77 PGR (0.51) TDP1ESR1
SCHEMBL20245175 0.76 MCOLN3 (0.52) TDP1GAAVCAM1SMN1; SMN2POLB
SCHEMBL14320162 0.74 SLC6A2 (0.58) TDP1VCAM1SMN1; SMN2POLBMAPT
SCHEMBL16014803 0.74 LPL (0.59) LPLLIPGCNR2

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