SCHEMBL12337062

SCHEMBL12337062

C=NC(/C=C\C(=C)Nc1ccccc1)=C/C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ TAS2R38 P59533 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NOX1 Q9Y5S8 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NAPRT Q6XQN6 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL14016448 0.77 TGM2 (0.45) TGM2GAATAS2R38HSD17B10KMT2A
SCHEMBL21414659 0.76 TGM2 (0.48) TGM2GAATAS2R38HSD17B10KMT2A
SCHEMBL799413 0.75 ALDH1A1 (0.44) TGM2GAATAS2R38HSD17B10KMT2A
SCHEMBL20869312 0.74 KMT2A (0.39) TGM2GAATAS2R38HSD17B10KMT2A
SCHEMBL21944495 0.73 MAOB (0.42) TGM2GAATAS2R38HSD17B10KMT2A
SCHEMBL24318333 0.71 MAPT (0.52) GAAHSD17B10KMT2ARAB9AMEN1
SCHEMBL19450424 0.71 TGM2 (0.42) TGM2GAATAS2R38HSD17B10KMT2A
SCHEMBL22700707 0.69 TGM2 (0.46) TGM2GAATAS2R38HSD17B10KMT2A
SCHEMBL12862829 0.68 TGM2 (0.48) TGM2GAATAS2R38HSD17B10KMT2A
SCHEMBL27657876 0.68 MMP1 (0.63) CYP1A2SMN1; SMN2LMNAALDH1A1EGFR

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
EP-2368558-A1 Azo compounds reducing formation and toxicity of amyloid beta aggregation intermediates Mdc Max-Delbrück-Centrum Für Molekulare Medizin Berlin - Buch (DE) 2011-09-28 — — EP disclosed
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