SCHEMBL14965951

SCHEMBL14965951

Nc1ccc2cnn(C3CCC(C(F)(F)F)CC3)c(=O)c2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.32
MET P08581 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
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 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
SCHEMBL14965954 1.00 PI4KB (0.32) PI4KBMETKDM4EALDH1A1HPGD
SCHEMBL14965757 0.84 KDM4E (0.40) METKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30603022 0.83 NPC1 (0.39) KDM4EALDH1A1HSD17B10MEN1NPC1
SCHEMBL14966264 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL14966343 0.82 L3MBTL1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL14965908 0.79 AURKA (0.39) METKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3369338 0.70 PIK3CD (0.43) KDM4EALDH1A1
SCHEMBL24861043 0.69 CRBN (0.57)
SCHEMBL14965879 0.68 PTGS2 (0.37) METKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14923489 0.68 CHEK1 (0.47) KDM4EALDH1A1MEN1KMT2A

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-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed