SCHEMBL10501136

SCHEMBL10501136

CC(C)C(=O)/C(=N\O)C(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SIRT4 Q9Y6E7 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10501143 1.00 ALDH1A1 (0.46) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL10500625 0.86 ALDH1A1 (0.44) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL10500615 0.86 ALDH1A1 (0.44) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL13588765 0.84 ALDH1A1 (0.55) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL7989661 0.81 ALDH1A1 (0.56) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL7989658 0.81 ALDH1A1 (0.56) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL10501466 0.81 MAOA (0.41) ALDH1A1GAAMAPTHTTTP53
SCHEMBL10501458 0.81 MAOA (0.41) ALDH1A1GAAMAPTHTTTP53
SCHEMBL2784997 0.74 ALDH1A1 (0.71) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL29993557 0.73 ALDH1A1 (0.59) ALDH1A1GAAAPPHCAR3HCAR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170214-B1 THE PREPARATION OF 1,3-DIHYDRO-4-PYRIDOYL-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-13 EP disclosed
US-4803278-A Preparation of 1,3-dihydro-4-pyridoyl-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS, INC. (US) 1989-02-07 US disclosed
EP-0170214-A1 The preparation of 1,3-Dihydro-4-pyridoyl-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1986-02-05 EP disclosed