SCHEMBL4959617

SCHEMBL4959617

N#Cc1ccc(Oc2c(C3CC3)nn(CC(=O)O)c2C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.50
MMP2 P08253 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
EPHX2 P34913 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
IL18 Q14116 1/20 0.35
SCN9A Q15858 3/20 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
SCHEMBL4103189 0.90 PGR (0.49) PGRPARP15PARP10PARP2CYP11B1
SCHEMBL4959744 0.88 PGR (0.47) PGRMMP2PARP15PARP10PARP2
SCHEMBL4958159 0.88 PGR (0.52) PGRMMP2PARP15PARP10PARP2
SCHEMBL4102713 0.87 PGR (0.64) PGRPARP15PARP10PARP2CYP11B1
SCHEMBL4709063 0.87 PGR (0.47) PGRPARP15PARP10PARP2CYP11B1
SCHEMBL13889242 0.86 PGR (0.48) PGRCYP11B1CYP11B2KDM4EPOLB
SCHEMBL4609093 0.84 PGR (0.46) PGR
SCHEMBL4959655 0.83 MRGPRX4 (0.39) PGRFFAR4
SCHEMBL4959670 0.83 MRGPRX4 (0.39) PGR
SCHEMBL4609487 0.83 PGR (0.46) PGRCYP11B1CYP11B2

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