SCHEMBL28063137

SCHEMBL28063137

CCCCCCC(C)C(=O)Oc1cccc2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HSP90AA1 P07900 1/20 0.45
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10752030 0.83 LMNA (0.55) LMNAL3MBTL1GAASMN1; SMN2METAP2
SCHEMBL8822078 0.83 LMNA (0.55) LMNAL3MBTL1GAASMN1; SMN2METAP2
SCHEMBL1121857 0.83 LMNA (0.55) LMNAL3MBTL1GAASMN1; SMN2METAP2
SCHEMBL28621538 0.82 LMNA (0.49) LMNAL3MBTL1GAASMN1; SMN2METAP2
SCHEMBL15548255 0.80 PRSS1 (0.51) LMNAL3MBTL1HDAC6KDM4EMEN1
SCHEMBL15547726 0.80 PRSS1 (0.51) LMNAL3MBTL1HDAC6KDM4EMEN1
SCHEMBL15548923 0.80 PRSS1 (0.51) LMNAL3MBTL1HDAC6KDM4EMEN1
SCHEMBL10752189 0.79 LMNA (0.60) LMNAL3MBTL1GAASMN1; SMN2METAP2
SCHEMBL15548954 0.79 PRSS1 (0.49) LMNAHDAC6KDM4EMEN1KMT2A
SCHEMBL28207518 0.79 L3MBTL1 (0.50) L3MBTL1GAAKDM4EMEN1KMT2A

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
CN-107501264-A The preparation method of diazabicyclooctane derivative 明治制果药业株式会社 2017-12-22 CN disclosed
CN-105555787-B Process for preparation of diazabicyclooctane derivatives and intermediates therefor 明治制果药业株式会社 2017-08-08 CN disclosed
CN-105555787-A Process for preparation of diazabicyclooctane derivatives and intermediates therefor MEIJI SEIKA PHARMA CO LT 2016-05-04 CN disclosed