SCHEMBL16824847

SCHEMBL16824847

COCc1cc(N)ccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 4/20 0.42
GFER P55789 4/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
YWHAG P61981 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.39
CASP6 P55212 1/20 0.38
NPC1 O15118 2/20 0.38
RAD52 P43351 2/20 0.38
NR4A1 P22736 1/20 0.36
PTK2B Q14289 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 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
SCHEMBL16824943 0.85 NR1H2 (0.49) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL16166942 0.83 AKR1C3 (0.49) MAPTALDH1A1GAAGFERHSD17B10
SCHEMBL22450644 0.82 MAPT (0.56) MAPTALDH1A1GAAGFERHSD17B10
SCHEMBL27737005 0.81 GAA (0.46) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL28094402 0.80 ALDH1A1 (0.49) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL16824932 0.80 SETDB1 (0.41) MAPTALDH1A1GAAGFERHSD17B10
SCHEMBL792373 0.79 NPSR1 (0.43) MAPTALDH1A1GAAGFERHSD17B10
SCHEMBL1812623 0.78 MAPT (0.46) MAPTALDH1A1GAAHSD17B10MEN1
SCHEMBL14320645 0.78 MAPT (0.56) MAPTALDH1A1GAAGFERHSD17B10
SCHEMBL16853272 0.78 HTR3E (0.46) MAPTALDH1A1GAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
WO-2015092431-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2015-06-25 WO disclosed