SCHEMBL7004895

SCHEMBL7004895

CCOc1ccc([S+]([O-])N2CCN(C)CC2)cc1C(=N)N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
POLB P06746 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HCN1 O60741 3/20 0.33
HCN4 Q9Y3Q4 3/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
F7 P08709 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL7003402 0.88 MAPK1 (0.41) POLBKMT2AMEN1HCN1HCN4
SCHEMBL7003806 0.85 KMT2A (0.41) DUSP3PTPN5PTPN11POLBALDH1A1
SCHEMBL26507815 0.77 PRSS1 (0.38) ALDH1A1KMT2AF2F10PRSS1
SCHEMBL7006925 0.76 KCNJ1 (0.37) DUSP3PTPN5PTPN11ALDH1A1HSD17B10
SCHEMBL12380569 0.75 KDM4E (0.49) ALDH1A1KMT2AMEN1HSD17B10HPGD
SCHEMBL5875625 0.74 TSHR (0.57) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL24508171 0.68 KDM4E (0.53) POLBALDH1A1KMT2AMEN1F2
SCHEMBL17040591 0.67 TSHR (0.49) KMT2AMEN1F2F10PRSS1
SCHEMBL12380550 0.66 MAPK1 (0.50) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL2571089 0.66 PDE5A (0.53) KMT2AMEN1SMN1; SMN2TSHR

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-1292586-A1 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIMIDINONES Pfizer Limited (GB) 2003-03-19 EP disclosed
WO-2001098284-A1 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIMIDINONES PFIZER LIMITED (GB) 2001-12-27 WO disclosed