SCHEMBL4959459

SCHEMBL4959459

CC(=O)On1nc(C2CC2)c(Oc2cc(C)c(C#N)c(C)c2)c1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 4/20 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
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
LRRK2 Q5S007 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
DPP4 P27487 1/20 0.30
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 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
CYP1A2 P05177 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
SCHEMBL4963363 0.83 ALDH1A1 (0.32) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4102620 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4609481 0.77 PGR (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4098727 0.77 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL13889226 0.77 KDM4E (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4104626 0.77 PGR (0.42) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4097765 0.77 KDM4E (0.35) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4731703 0.75
SCHEMBL4103586 0.75 PKM (0.32) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4960690 0.74 PGR (0.35) ALDH1A1KDM4EMEN1LMNAKMT2A

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