SCHEMBL24005907

SCHEMBL24005907

Fc1c[nH]c2nc(OCCN3CCC3)c(I)cc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.35
▸ BCHE P06276 3/20 0.34
▸ ACHE P22303 2/20 0.34
▸ HRH3 Q9Y5N1 6/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ NTRK1 P04629 1/20 0.32

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
SCHEMBL25624526 0.83 CYP2C19 (0.40) LTA4HHRH3HTR6KCNH2
SCHEMBL25624610 0.73 CYP3A4 (0.42) NTRK1
SCHEMBL24005758 0.73 MEN1 (0.45) NTRK1
SCHEMBL25627483 0.71 CYP1A2 (0.33) HTR6
SCHEMBL25613052 0.70 ALDH1A1 (0.44) HRH3
SCHEMBL24005765 0.64 LTA4H (0.48) LTA4HHRH3
SCHEMBL16621346 0.63 LTA4H (0.46) LTA4HHRH3
SCHEMBL25613054 0.62 LTA4H (0.45) LTA4HHRH3
SCHEMBL2319084 0.62 LTA4H (0.60) LTA4HHRH3
SCHEMBL25624434 0.62 MERTK (0.35) —

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-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 — — WO disclosed
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