SCHEMBL31074877

SCHEMBL31074877

C=CCOc1nc(Cl)c([N+](=O)[O-])c(OCC=C)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ PIN1 Q13526 2/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11826364 0.81 MEN1 (0.35) MAPTMAPK1MEN1KMT2ACTDSP1
SCHEMBL2114184 0.71 MAPT (0.46) MAPTMAPK1ATM
SCHEMBL20839669 0.70 PIN1 (0.62) MEN1KMT2APIN1ATM
SCHEMBL502077 0.68 MAPT (0.54) MAPTMEN1KMT2APIN1ALDH1A1
SCHEMBL23181 0.67 MAPK1 (0.55) MAPTMAPK1ATMALDH1A1
SCHEMBL4318852 0.66 MAPT (0.47) MAPTMAPK1ATMALDH1A1
SCHEMBL2115403 0.66 MAPK1 (0.47) MAPTMAPK1ATMALDH1A1
SCHEMBL5643837 0.65 AHR (0.36) MAPTMAPK1MEN1KMT2APIN1
SCHEMBL17584797 0.65 MAPT (0.41) MAPTMAPK1MEN1KMT2APIN1
Hydrogen Sulfide SCHEMBL20395887 0.65 MAPK1 (0.53) MAPTMAPK1ATMALDH1A1

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-2024181466-A1 COMPOUND, MAIT CELL ACTIVATOR, VACCINE ADJUVANT, AND PHARMACEUTICAL COMPOSITION 国立大学法人京都大学 2024-09-06 — — WO disclosed
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