SCHEMBL469601

SCHEMBL469601

CCOC(=O)c1c(C=O)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.51
ALOX15 P16050 6/20 0.51
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8190870 0.83 MDM2 (0.42) MDM2ALOX15MEN1KMT2ALMNA
SCHEMBL14377351 0.80 ALOX15 (0.54) ALOX15MEN1KMT2ALMNAL3MBTL1
SCHEMBL12228528 0.78 MDM2 (0.47) MDM2ALOX15LMNAL3MBTL1ALDH1A1
SCHEMBL16610189 0.75 MDM2 (0.50) MDM2ALOX15MEN1KMT2ALMNA
SCHEMBL5411620 0.70 MDM2 (0.42) MDM2ALOX15LMNAL3MBTL1MAPT
SCHEMBL19013032 0.70 L3MBTL1 (0.51) MDM2ALOX15L3MBTL1MAPTALDH1A1
SCHEMBL7506290 0.70 LMNA (0.51) MDM2ALOX15KMT2ALMNAL3MBTL1
SCHEMBL7512111 0.70 LMNA (0.48) MDM2ALOX15LMNAL3MBTL1MAPT
SCHEMBL4337410 0.69 ALOX15 (0.47) ALOX15LMNAL3MBTL1NPSR1MAPT
SCHEMBL8540705 0.69 MDM2 (0.45) MDM2MEN1KMT2ALMNAL3MBTL1

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
US-9187441-B2 p53-Mdm2 antagonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-11-17 US disclosed
US-9187441-B2 p53-Mdm2 antagonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-11-17 US disclosed
WO-2012033525-A2 P53-MDM2 ANTAGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-15 WO disclosed