SCHEMBL5039031

SCHEMBL5039031

NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1

nearest known ligand 0.97

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.97
SMN1; SMN2 Q16637 5/20 0.77
HTT P42858 3/20 0.77
LMNA P02545 2/20 0.77
TSHR P16473 1/20 0.77
MAPT P10636 1/20 0.75
IL1RN P18510 1/20 0.75
ALDH1A1 P00352 4/20 0.72
AKR1C3 P42330 1/20 0.65
NPSR1 Q6W5P4 2/20 0.62
HSD17B10 Q99714 1/20 0.60
CNR1 P21554 1/20 0.60
POLB P06746 1/20 0.59

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
SCHEMBL14507610 0.98 GAA (1.00) GAASMN1; SMN2HTTLMNATSHR
SCHEMBL2856801 0.88 GAA (0.76) GAASMN1; SMN2HTTLMNATSHR
SCHEMBL2852725 0.87 GAA (0.74) GAASMN1; SMN2HTTLMNATSHR
SCHEMBL2850336 0.87 GAA (0.74) GAALMNATSHRALDH1A1AKR1C3
SCHEMBL2851156 0.87 GAA (0.74) GAASMN1; SMN2HTTLMNATSHR
SCHEMBL1001486 0.86 MAPT (1.00) GAASMN1; SMN2HTTLMNATSHR
SCHEMBL29463849 0.86 MAPT (1.00) GAASMN1; SMN2HTTLMNATSHR
SCHEMBL17479344 0.85 GAA (0.76) GAASMN1; SMN2HTTLMNATSHR
SCHEMBL1001537 0.84 MAPT (0.97) GAASMN1; SMN2HTTLMNATSHR
SCHEMBL30213397 0.84 MAPT (0.97) GAASMN1; SMN2HTTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749646-B1 HETEROARYL COMPOUNDS AS KINASE INHIBITOR FUJIAN HAIXI PHARMACEUTICALS CO LTD (CN) 2022-04-06 EP claimed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed