SCHEMBL4962986

SCHEMBL4962986

CCOC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)c(C)c2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
AR P10275 2/20 0.40
NPC1 O15118 3/20 0.36
PGR P06401 1/20 0.36
MAPT P10636 5/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CASP1 P29466 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13889226 0.87 KDM4E (0.39) ATMNPC1MAPTKMT2ALMNA
SCHEMBL4109845 0.87 PGR (0.44) ARPGRMRGPRX4
SCHEMBL4607965 0.83 PGR (0.42) ARPGRMRGPRX4
SCHEMBL4959655 0.81 MRGPRX4 (0.39) ARPGRMRGPRX4
SCHEMBL4748844 0.80 PGR (0.38) PGRMAPTKDM4EHSD17B10MRGPRX4
SCHEMBL4102622 0.80 MRGPRX4 (0.37) ARPGRMAPTKDM4EALDH1A1
SCHEMBL4112533 0.79 PGR (0.48) ARPGRMRGPRX4
SCHEMBL13889242 0.78 PGR (0.48) NPC1PGRKDM4EALDH1A1
SCHEMBL4609500 0.77 PGR (0.46) ARPGRMRGPRX4
SCHEMBL4752244 0.77 PGR (0.39) ARPGRMRGPRX4

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