SCHEMBL28320520

SCHEMBL28320520

FC(F)(F)Oc1ccc(-c2nc(-c3c[nH]nn3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.45
SHMT2 P34897 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.42
ALOX5 P09917 1/20 0.42
EIF4E P06730 2/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
AR P10275 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL28320570 0.90 ALOX5 (0.47) PIM1SHMT2SCN10AALOX5EIF4E
SCHEMBL28320591 0.85 XDH (0.43) PIM1SCN10AEIF4ECYP19A1
SCHEMBL12989125 0.80 SCN5A (0.47) SCN10AALOX5KDM4EMAPTRAB9A
SCHEMBL13281913 0.77 KDM4E (0.68) PIM1SHMT2SCN10AALOX5EIF4E
SCHEMBL16399168 0.75 ADORA1 (0.45) PIM1SHMT2SCN10AALOX5EIF4E
SCHEMBL28321645 0.74 ALDH1A1 (0.53) PIM1EIF4EKDM4EARRAB9A
SCHEMBL23457475 0.73 KDM4E (0.50) EIF4EKDM4ERAB9A
SCHEMBL29699367 0.73 KDM4E (0.50) EIF4EKDM4ERAB9A
SCHEMBL9264337 0.73 SCN10A (0.54) PIM1SHMT2SCN10AALOX5KDM4E
SCHEMBL9264332 0.73 SHMT2 (0.49) PIM1SHMT2SCN10AALOX5EIF4E

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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed