SCHEMBL17508145

SCHEMBL17508145

O=Cc1ccc(Cc2ccc(F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
PTPN7 P35236 3/20 0.40
DUSP3 P51452 3/20 0.40
GRM2 Q14416 1/20 0.39
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR183 P32249 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36
P2RX7 Q99572 2/20 0.36

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
SCHEMBL10662203 0.86 PTPN7 (0.47) KIF11NR3C2ARPTPN7DUSP3
SCHEMBL17508193 0.82 RAB9A (0.56) KIF11ARPTPN7DUSP3
SCHEMBL67628 0.82 KIF11 (0.58) KIF11AR
SCHEMBL10299815 0.82 KIF11 (0.58) KIF11AR
SCHEMBL9901133 0.82 IDO1 (0.51) KIF11P2RX7
SCHEMBL17508169 0.80 CYP17A1 (0.44) KIF11KMT2A
SCHEMBL30679640 0.79 KIF11 (0.75) KIF11AR
SCHEMBL30486158 0.79 PTPN7 (0.47) KIF11NR3C2ARPTPN7DUSP3
SCHEMBL250310 0.79 PTPN7 (0.47) KIF11NR3C2ARPTPN7DUSP3
SCHEMBL1283899 0.75 KIF11 (0.51) KIF11ARL3MBTL1

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
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed