SCHEMBL6058717

SCHEMBL6058717

CCCc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2nccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 5/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
PTGER4 P35408 1/20 0.40
EP300 Q09472 1/20 0.38
CNR2 P34972 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
SCN9A Q15858 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BRS3 P32247 1/20 0.34

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
SCHEMBL13399034 0.89 PTGER2 (0.49) PTGER2KMT2AMEN1MAPTPKM
SCHEMBL5049363 0.88 PTGER2 (0.53) PTGER2KMT2AMEN1MAPTPKM
SCHEMBL5049397 0.88 PTGER2 (0.49) PTGER2KMT2AMEN1MAPTPKM
SCHEMBL13399184 0.85 PTGER2 (0.58) PTGER2KMT2AMEN1MAPTPKM
SCHEMBL13399232 0.83 PTGER2 (0.62) PTGER2PTGER4CA12CA1CA2
Hydrochloric Acid SCHEMBL5043372 0.81 PTGER2 (0.71) PTGER2PTGER4CA12CA1CA2
SCHEMBL5043416 0.80 PTGER2 (0.60) PTGER2PTGER4CA12CA1CA2
SCHEMBL5046726 0.73 PTGER2 (0.62) PTGER2KMT2AMEN1PTGER4CA12
SCHEMBL5046588 0.72 PTGER2 (0.54) PTGER2PTGER4
SCHEMBL5047921 0.72 PTGER2 (0.58) PTGER2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed