SCHEMBL9822116

SCHEMBL9822116

CC(=O)OC(C)c1nc2nc(C)cc(O)n2n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL9822172 0.85 KMT2A (0.37) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9770272 0.76 KMT2A (0.39) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL10516889 0.73 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9822317 0.71 KDM4E (0.51) KMT2AALDH1A1HPGDKDM4ETP53
SCHEMBL4613719 0.70 L3MBTL1 (0.46) ALDH1A1HPGDTP53L3MBTL1LMNA
SCHEMBL6554113 0.70 KMT2A (0.65) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9678829 0.70 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9770417 0.69 RECQL (0.46) KMT2AALDH1A1HPGDKDM4ETP53
SCHEMBL4612108 0.67 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ERECQLALOX15
SCHEMBL9678451 0.66 KDM4E (0.55) KMT2AMEN1ALDH1A1HPGDKDM4E

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
US-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed