SCHEMBL7003785

SCHEMBL7003785

CCOc1ccc(S(=O)(=O)NC(=O)CC)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 1/20 0.53
S1PR3 Q99500 1/20 0.50
WDR5 P61964 2/20 0.49
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RCE1 Q9Y256 1/20 0.46
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3873090 0.85 MAPK1 (0.56) MAPK1LMNARAB9AS1PR3WDR5
SCHEMBL7003317 0.84 LMNA (0.56) MAPK1LMNARAB9AS1PR3WDR5
SCHEMBL18891249 0.82 MAPK1 (0.59) MAPK1LMNARAB9AS1PR3WDR5
SCHEMBL7433558 0.82 S1PR3 (0.53) MAPK1LMNARAB9AS1PR3WDR5
SCHEMBL29017033 0.80 S1PR3 (0.57) MAPK1LMNARAB9AS1PR3WDR5
SCHEMBL2574654 0.80 S1PR3 (0.57) MAPK1LMNARAB9AS1PR3WDR5
SCHEMBL4268302 0.79 S1PR3 (0.56) MAPK1LMNARAB9AS1PR3WDR5
SCHEMBL30823666 0.79 S1PR3 (0.56) MAPK1LMNARAB9AS1PR3WDR5
SCHEMBL5038152 0.79 S1PR3 (0.56) MAPK1LMNARAB9AS1PR3WDR5
SCHEMBL4601864 0.73 PTPN11 (0.52) MAPK1LMNARAB9AS1PR3WDR5

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-1129093-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF IMPOTENCE DONG A PHARM CO LTD (KR) 2003-07-23 EP disclosed
US-6583147-B1 5-(2-ethoxy-5-(isopropylamidosulfonyl)phenyl)-1-methyl-3-propy l- 1,6-dihydro-7H-pyrazolo(4,3-d)pyrimidin-7-one; DONG A PHARM CO., LTD. (KR) 2003-06-24 US disclosed