SCHEMBL24215713

SCHEMBL24215713

O=C(O)c1cnn(-c2cnc(N3CCN(CC(F)(F)F)CC3)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALKBH2 Q6NS38 2/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ ALKBH1 Q13686 5/20 0.38
▸ XDH P47989 1/20 0.38
▸ EGLN1 Q9GZT9 8/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL24215432 0.85 ABL1 (0.42) HPGDSSCN10A
SCHEMBL24215622 0.82 SPR (0.37) SCN10A
SCHEMBL24215697 0.81 ALKBH2 (0.43) ALKBH2HPGDSEGLN1SCN10A
SCHEMBL24215217 0.77 ABL1 (0.38) SCN10A
SCHEMBL30411412 0.73 SMN1; SMN2 (0.52) —
SCHEMBL24215470 0.73 SMN1; SMN2 (0.52) —
SCHEMBL24215327 0.71 PTPN1 (0.38) SCN10A
SCHEMBL30412177 0.71 PTPN1 (0.38) SCN10A
SCHEMBL23622940 0.71 SCN10A (0.39) SCN10A
SCHEMBL24215714 0.71 SCN10A (0.37) SCN10A

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-2022015957-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 — — WO disclosed
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