SCHEMBL5033111

SCHEMBL5033111

CC1(CCN)C(=O)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP3 P08254 2/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRB3 P28472 1/20 0.31
OPRD1 P41143 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL3974105 0.82 LMNA (0.46) LMNAMMP2MMP9MMP3TP53
SCHEMBL15212094 0.78 LMNA (0.48) LMNAMMP2MMP9MMP3TP53
SCHEMBL2850139 0.74 MMP2 (0.45) LMNAMMP2MMP9MMP3ALDH1A1
SCHEMBL8348835 0.72 LMNA (0.59) LMNAMMP2MMP9MMP3TP53
Hydrochloric Acid SCHEMBL16822147 0.68 PDK2 (0.53) LMNAALDH1A1
Trifluoroacetic Acid SCHEMBL3967648 0.67 MMP2 (0.36) LMNAMMP2MMP9TP53ALDH1A1
SCHEMBL9694966 0.66 LMNA (0.61) LMNAMMP2MMP9MMP3TP53
SCHEMBL17169741 0.66 LMNA (0.43) LMNAMMP2MMP9MMP3TP53
Hydrochloric Acid SCHEMBL9694949 0.64 LMNA (0.59) LMNAMMP2MMP9MMP3TP53
Dimethylbarbiturate SCHEMBL296700 0.64 LMNA (0.48) LMNAMMP2MMP9MMP3TP53

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-2004614-A1 TETRAHALOGENATED COMPOUNDS USEFUL AS INHIBITORS OF ANGIOGENESIS The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2008-12-24 EP disclosed
WO-2007120669-A1 TETRAHALOGENATED COMPOUNDS USEFUL AS INHIBITORS OF ANGIOGENESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-10-25 WO disclosed