SCHEMBL4958159

SCHEMBL4958159

Cc1nn(CC(=O)O)c(C2CC2)c1Oc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.52
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SCN9A Q15858 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MMP2 P08253 1/20 0.36
PRKDC P78527 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35

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
SCHEMBL4108130 0.89 PGR (0.64) PGRCYP11B1CYP11B2KDM4ESCN9A
SCHEMBL4959617 0.88 PGR (0.50) PGRCYP11B1CYP11B2KDM4ESCN9A
SCHEMBL4962255 0.85 MRGPRX4 (0.40) PGR
SCHEMBL4100044 0.84 PGR (0.36) PGRKDM4EPOLBMAPT
SCHEMBL4959744 0.83 PGR (0.47) PGRCYP11B1CYP11B2KDM4ESCN9A
SCHEMBL4104942 0.80 PGR (0.47) PGRCYP11B1CYP11B2KDM4ESCN9A
SCHEMBL13889242 0.79 PGR (0.48) PGRCYP11B1CYP11B2KDM4EPOLB
SCHEMBL4103189 0.78 PGR (0.49) PGRCYP11B1CYP11B2KDM4ESCN9A
SCHEMBL4102713 0.78 PGR (0.64) PGRCYP11B1CYP11B2KDM4ESCN9A
SCHEMBL4104316 0.77 PGR (0.42) PGRFPR2PROKR1

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-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed