SCHEMBL16824939

SCHEMBL16824939

COC[C@]1(C(C)(C)C)CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
ALDH1A1 P00352 8/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL16824835 1.00 MAPT (0.52) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL16824857 0.83 ALDH1A1 (0.40) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL16569815 0.79 SIRT6 (0.54) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL5724734 0.75 MAPT (0.68) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL18186271 0.73 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL394197 0.73 ALDH1A1 (0.39) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5235107 0.70 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL29310298 0.69 SIRT6 (0.51) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL5235116 0.69 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL2105411 0.68 MAPT (0.75) MAPTALDH1A1LMNASMN1; SMN2TP53

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