SCHEMBL9045382

SCHEMBL9045382

CCOC(=O)OC1CN(Cc2ccncc2)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
CYP19A1 P11511 4/20 0.38
GRM2 Q14416 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 5/20 0.36
CASP3 P42574 1/20 0.35
LMNA P02545 1/20 0.35
NAMPT P43490 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL9042445 0.86 LMNA (0.42) MEN1KMT2AALDH1A1CASP3LMNA
SCHEMBL9041633 0.83 SMN1; SMN2 (0.49) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL9043025 0.81 ALDH1A1 (0.55) KDM4ECYP19A1GRM2GAAMEN1
SCHEMBL9042389 0.81 ALDH1A1 (0.47) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL9043162 0.79 SMN1; SMN2 (0.48) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL9042485 0.77 ALDH1A1 (0.46) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL9043948 0.75 KMT2A (0.47) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL9044339 0.71 ALDH1A1 (0.41) KDM4EGRM2MEN1KMT2AALDH1A1
SCHEMBL23918548 0.68 KMT2A (0.56) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL1832087 0.68 ALDH1A1 (0.57) MEN1KMT2AALDH1A1CASP3L3MBTL1

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-0553130-B1 PYRROLIDINE DIONE DERIVATIVES PFIZER (US) 1996-01-03 EP claimed