SCHEMBL9901598

SCHEMBL9901598

N#Cc1cccc(F)c1CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
AR P10275 5/20 0.35
PGR P06401 1/20 0.35
PDK2 Q15119 1/20 0.34
BCAT1 P54687 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RORC P51449 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19725442 0.84 MPO (0.37) MPOARPDK2BCAT1L3MBTL1
SCHEMBL876038 0.80 AR (0.39) ARPDK2L3MBTL1MEN1KMT2A
SCHEMBL17185834 0.77 MPO (0.39) MPOBCAT1L3MBTL1MEN1KMT2A
SCHEMBL379748 0.77 MPO (0.39) MPOBCAT1L3MBTL1MEN1KMT2A
SCHEMBL22904169 0.77 MPO (0.39) MPOPDK2BCAT1L3MBTL1MEN1
SCHEMBL19437188 0.77 MPO (0.39) MPOBCAT1L3MBTL1MEN1KMT2A
SCHEMBL12507402 0.77 MPO (0.39) MPOBCAT1L3MBTL1MEN1KMT2A
SCHEMBL16892266 0.76 HTR2A (0.37) MPOARBCAT1L3MBTL1MEN1
SCHEMBL21910132 0.74 MPO (0.38) MPOARBCAT1L3MBTL1MEN1
SCHEMBL4136617 0.73 TAAR1 (0.33) ARPGRKDM4EALDH1A1TAAR1

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-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed