SCHEMBL4963363

SCHEMBL4963363

CC(=O)On1nc(C)c(Oc2cc(C)c(C#N)c(C)c2)c1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
PGR P06401 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 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
SCHEMBL4959459 0.83 ALDH1A1 (0.32) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4100044 0.80 PGR (0.36) ALDH1A1KDM4EPGRMEN1LMNA
SCHEMBL4104136 0.79 LMNA (0.36) ALDH1A1KDM4EPGRMEN1LMNA
SCHEMBL4608002 0.77 PGR (0.44) ALDH1A1KDM4EPGRMEN1LMNA
SCHEMBL4104566 0.77 PGR (0.46) ALDH1A1KDM4EPGRMEN1LMNA
SCHEMBL4110055 0.77 ALDH1A1 (0.34) ALDH1A1KDM4EPGRMEN1LMNA
SCHEMBL13889225 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EPGRMEN1LMNA
SCHEMBL4114900 0.77 KDM4E (0.35) ALDH1A1KDM4EPGRMEN1LMNA
SCHEMBL4925704 0.75 L3MBTL1 (0.32)
SCHEMBL4781499 0.73 L3MBTL1 (0.39) ALDH1A1KDM4EMEN1KMT2ATDP1

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