SCHEMBL9324151

SCHEMBL9324151

N=C1NC(=N)c2c(OCC(F)(F)C(F)F)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
NPSR1 Q6W5P4 3/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CFTR P13569 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL9323965 0.85 PDK2 (0.37) PDK2KDM4EL3MBTL1MEN1MAPT
SCHEMBL8210462 0.81 PDK2 (0.36) PDK2
SCHEMBL9325025 0.80 PDK2 (0.34) PDK2
SCHEMBL9324016 0.78 HTT (0.32) NPSR1KDM4EL3MBTL1MEN1LMNA
SCHEMBL7815949 0.74 PDK2 (0.46) PDK2NPSR1KDM4EL3MBTL1MEN1
SCHEMBL7823833 0.71 CYP1A2 (0.44) TSHR
SCHEMBL8204919 0.70 PDK2 (0.33) PDK2
SCHEMBL7822785 0.69 PDE5A (0.32)
SCHEMBL7830178 0.69 CA1 (0.46) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL1710086 0.66 KDM4E (0.45) NPSR1KDM4EL3MBTL1MEN1LMNA

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-0623923-A1 Optical recording medium TOYO INK MANUFACTURING CO., LTD. (JP) 1994-11-09 EP disclosed
US-5348840-A Optical recording medium TOYO INK MANUFACTURING CO., LTD. (JP) 1994-09-20 US disclosed