SCHEMBL4726191

SCHEMBL4726191

COc1cccc2[nH]cc(-c3ccc(C#N)c(NC4CCC(O)CC4)c3)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HTR2A P28223 3/20 0.38
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 2/20 0.37
PGR P06401 2/20 0.37
AR P10275 2/20 0.37
MAPT P10636 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2C P28335 1/20 0.36
CHEK1 O14757 2/20 0.36
LRRK2 Q5S007 1/20 0.36
CDC7 O00311 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR5A P47898 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CHUK O15111 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
SCHEMBL4580694 0.83 MAPT (0.44) CD274PRKCQPRKCDPGRAR
SCHEMBL4726629 0.82 HSP90AA1 (0.50) HSP90AA1
SCHEMBL4727895 0.81 PDE4B (0.46) PRKCQPRKCDMAPTCDC7
SCHEMBL4579980 0.78 KDM4E (0.48) PRKCQPRKCDPGRARMAPT
SCHEMBL4579724 0.78 PGR (0.50) CD274PRKCQPRKCDPGRAR
SCHEMBL4581544 0.77 PRKCQ (0.42) PRKCQPRKCDPGRARMAPT
SCHEMBL4581755 0.73 ALDH1A1 (0.42) PRKCQPRKCDPGRMAPTCHEK1
SCHEMBL4581033 0.70 HSP90AA1 (0.43) CD274PRKCQPRKCDHSP90AA1
SCHEMBL14197322 0.70 HSP90AA1 (0.43) CD274PRKCQPRKCDHSP90AA1
SCHEMBL4580296 0.69 PIM1 (0.44) PRKCQPRKCDHSP90AA1CHUK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed