SCHEMBL5035255

SCHEMBL5035255

NC(=O)c1cccc(S(=O)(=O)N(CCO)CCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 3/20 0.47
TSHR P16473 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
VCAM1 P19320 1/20 0.45
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PRKCA P17252 1/20 0.43
RAB9A P51151 1/20 0.42
MEP1A Q16819 1/20 0.42
MEP1B Q16820 1/20 0.42
PARP1 P09874 1/20 0.42
RORC P51449 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6671420 0.86 CYP2C19 (0.56) SMN1; SMN2GAATSHRLMNAMEN1
SCHEMBL2852902 0.85 KMT2A (0.52) SMN1; SMN2GAATSHRLMNAMEN1
SCHEMBL2854838 0.83 SMN1; SMN2 (0.63) SMN1; SMN2GAATSHRLMNAMEN1
SCHEMBL13543301 0.81 MEN1 (0.46) SMN1; SMN2GAATSHRLMNAMEN1
SCHEMBL5035257 0.80 ALDH1A1 (0.53) SMN1; SMN2GAATSHRLMNAVCAM1
SCHEMBL8156944 0.80 CA1 (0.57) SMN1; SMN2GAATSHRVCAM1NPC1
SCHEMBL13754000 0.79 POLB (0.59) SMN1; SMN2GAATSHRLMNAMEN1
SCHEMBL2848307 0.78 MEN1 (0.63) SMN1; SMN2GAATSHRLMNAMEN1
SCHEMBL9320572 0.76 SMN1; SMN2 (0.51) SMN1; SMN2GAATSHRLMNAMEN1
SCHEMBL2853143 0.76 GAA (0.50) GAATSHRLMNAALDH1A1PARP1

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-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