SCHEMBL21063624

SCHEMBL21063624

O=C(OC(=O)C(F)(F)F)c1cn(C2CNC2)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.33
▸ KDM5A P29375 1/20 0.31
▸ SLC6A9 P48067 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SLC6A5 Q9Y345 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
Trifluoroacetic Acid SCHEMBL21063623 0.80 KDM2B (0.40) KDM2BKDM5A
SCHEMBL21063598 0.75 KDM2B (0.45) KDM2BKDM5A
SCHEMBL21063580 0.74 IRAK4 (0.32) —
SCHEMBL21063652 0.71 ACHE (0.49) —
SCHEMBL4735031 0.68 SCD (0.32) —
SCHEMBL4737902 0.68 RBP4 (0.46) KDM5A
SCHEMBL20497264 0.64 KDM2B (0.52) KDM2BKCNH2
SCHEMBL21063473 0.63 PDK1 (0.32) —
SCHEMBL20497250 0.62 PIM1 (0.45) KDM2BKCNH2
SCHEMBL20497248 0.62 PIM1 (0.45) KDM2BKCNH2

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
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 — — WO disclosed
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