SCHEMBL7003402

SCHEMBL7003402

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CSF1R P07333 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HCN1 O60741 3/20 0.37
HCN4 Q9Y3Q4 3/20 0.37
KCNH2 Q12809 3/20 0.37
SCN5A Q14524 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL7003806 0.89 KMT2A (0.41) LMNARAB9APOLBMEN1KMT2A
SCHEMBL7004895 0.88 DUSP3 (0.34) LMNARAB9APOLBMEN1KMT2A
SCHEMBL7006925 0.76 KCNJ1 (0.37) MAPK1KCNH2TSHRHSD17B10
SCHEMBL5875796 0.75 MEN1 (0.60) MAPK1LMNARAB9APOLBHTT
SCHEMBL12380564 0.75 KDM4E (0.52) LMNAADRB2ADRB1ADRB3ADRA1D
SCHEMBL7860492 0.68 MAPK1 (0.51) MAPK1LMNARAB9AADRB2ADRB1
SCHEMBL15487159 0.68 MAPT (0.53) MAPK1LMNARAB9AADRB2ADRB1
SCHEMBL28045267 0.68 KDM4E (0.57) MAPK1LMNARAB9AHTTMEN1
SCHEMBL31565683 0.67 MAPK1 (0.50) MAPK1LMNARAB9AADRB2ADRB1
SCHEMBL11627993 0.67 MEN1 (0.53) MAPK1LMNARAB9AHTTMEN1

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