SCHEMBL31387185

SCHEMBL31387185

Nc1nc(N2CCC(=C(F)F)CC2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 9/20 0.56
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 1/20 0.50
▸ GFER P55789 2/20 0.48
▸ CHIA Q9BZP6 10/20 0.40
▸ CHIT1 Q13231 9/20 0.39
▸ KCNH2 Q12809 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
SCHEMBL2455907 0.76 GAA (0.69) GAAALDH1A1MAPTGFERCHIA
SCHEMBL9793471 0.74 GAA (0.67) GAAALDH1A1MAPTGFERCHIA
SCHEMBL1994355 0.72 GAA (1.00) GAAALDH1A1MAPTGFERCHIA
SCHEMBL9793417 0.72 GAA (0.62) GAAALDH1A1MAPTGFERCHIA
SCHEMBL31387327 0.68 — —
SCHEMBL31214493 0.66 GAA (0.63) GAAALDH1A1MAPTGFERCHIA
SCHEMBL18610008 0.64 CHIT1 (0.60) GAAMAPTCHIACHIT1KCNH2
SCHEMBL31214557 0.61 GAA (0.57) GAAALDH1A1MAPTGFERCHIA
SCHEMBL31554233 0.60 — —
SCHEMBL14589051 0.56 SETD7 (0.45) KCNH2

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-2024255765-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-12-19 — — WO disclosed
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