SCHEMBL4789550

SCHEMBL4789550

Cc1cc(Oc2c(C3CCC3)nn(CS(C)(=O)=O)c2COP(=O)(O)O)ccc1C#N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
NR3C2 P08235 2/20 0.31
KDR P35968 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL4748816 0.88 PGR (0.36) PGRHRH3ALOX5APFEN1DPP4
SCHEMBL14021725 0.88 PGR (0.39) PGRKDR
SCHEMBL4748817 0.86 PGR (0.34) PGR
SCHEMBL14022518 0.86 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL4884834 0.85 PGR (0.36) PGRHRH3DPP4KCNH2KDR
SCHEMBL4752244 0.85 PGR (0.39) PGRHRH3KDRMRGPRX4
SCHEMBL4607965 0.81 PGR (0.42) PGRHRH3KDRMRGPRX4
SCHEMBL4609500 0.80 PGR (0.46) PGRHRH3KDRMRGPRX4
SCHEMBL4947332 0.80 PGR (0.38) PGRKDR
SCHEMBL14022517 0.78 AR (0.33) PGR

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
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed