SCHEMBL5571728

SCHEMBL5571728

CS(=O)(=O)C(CO)(NS(=O)(=O)c1cccc(N)c1)S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.48
PRSS1 P07477 3/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
CYP19A1 P11511 1/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 2/20 0.46
LMNA P02545 2/20 0.45
PRMT1 Q99873 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL5032618 0.82 F2 (0.50) F2PRSS1PRSS2PRSS3CYP19A1
SCHEMBL5032675 0.82 ALDH1A1 (0.53) F2PRSS1PRSS2PRSS3CYP19A1
SCHEMBL5571722 0.82 CYP2C19 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2018411 0.77 LMNA (0.69) F2PRSS1PRSS2PRSS3CYP19A1
SCHEMBL29973441 0.77 LMNA (0.69) F2PRSS1PRSS2PRSS3CYP19A1
SCHEMBL5568746 0.74 CYP19A1 (0.55) F2PRSS1PRSS2PRSS3CYP19A1
SCHEMBL5566217 0.72 POLB (0.57) F2PRSS1PRSS2PRSS3CYP19A1
SCHEMBL687474 0.71 LMNA (0.61) F2PRSS1PRSS2PRSS3CYP19A1
SCHEMBL12334829 0.71 ALDH1A1 (0.53) F2PRSS1PRSS2PRSS3CYP19A1
SCHEMBL452006 0.71 PRMT1 (0.66) F2PRSS1PRSS2PRSS3CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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