SCHEMBL3640959

SCHEMBL3640959

CC(=O)NC(C)Cc1ccc(C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.52
PSMB5 P28074 7/20 0.48
PSMB8 P28062 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL12813567 0.80 ACACB (0.53) ACACBKDM4EALDH1A1NPC1RAB9A
SCHEMBL12375145 0.78 PSMB5 (0.44) PSMB5PSMB8KDM4EALDH1A1NR3C1
SCHEMBL12722551 0.78 KDM4E (0.50) PSMB5PSMB8KDM4EALDH1A1NR3C1
SCHEMBL8532416 0.76 ACACB (0.82) ACACB
SCHEMBL22133095 0.75 PSMB5 (0.42) PSMB5PSMB8KDM4EALDH1A1NR3C1
SCHEMBL31544975 0.74 ACACB (0.59) ACACBNPC1RAB9A
SCHEMBL11739893 0.74 ACACB (0.42) ACACB
SCHEMBL3634469 0.73 KDM4E (0.45) PSMB5PSMB8KDM4EALDH1A1NR3C1
SCHEMBL11745327 0.73 ACACB (0.41) ACACB
SCHEMBL3031236 0.73 KDM4E (0.47) PSMB5PSMB8KDM4EALDH1A1NR3C1

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-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed