SCHEMBL9537460

SCHEMBL9537460

FC(F)(F)c1ccc2nc(C(F)(F)F)c[c]c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 1/20 0.39
SCN4A P35499 1/20 0.39
METAP2 P50579 1/20 0.38
NPBWR1 P48145 5/20 0.36
NT5E P21589 1/20 0.35
ESR1 P03372 1/20 0.35
DGAT1 O75907 2/20 0.34
KCNH2 Q12809 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
KIF11 P52732 1/20 0.33
DYRK1A Q13627 2/20 0.33
DYRK1B Q9Y463 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL9538280 0.86 KDM4E (0.41) BACE1KDM4EEPHX2SCN4AMETAP2
SCHEMBL856453 0.77 TLR7 (0.41) BACE1KDM4EKCNH2TLR7
SCHEMBL5460532 0.75 KMT2A (0.45) BACE1KDM4EEPHX2SCN4ADYRK1A
SCHEMBL30586443 0.71 BACE1 (0.65) BACE1KDM4EEPHX2SCN4AMETAP2
SCHEMBL10967442 0.71 BACE1 (0.65) BACE1KDM4EEPHX2SCN4AMETAP2
SCHEMBL2472075 0.70 DYRK1A (0.39) BACE1KDM4EEPHX2SCN4AMETAP2
SCHEMBL7164162 0.68 BACE1 (0.39) BACE1KDM4EEPHX2SCN4AMETAP2
SCHEMBL31327779 0.67 NT5E (0.68) BACE1KDM4EEPHX2SCN4ANPBWR1
SCHEMBL2709353 0.67 NT5E (0.68) BACE1KDM4EEPHX2SCN4ANPBWR1
SCHEMBL13641613 0.66 KDM4E (0.63) BACE1KDM4EEPHX2SCN4ANPBWR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311955-B1 BICYCLIC PEROXIDE F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed