SCHEMBL4847147

SCHEMBL4847147

CC(Nc1cccc2ccccc12)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 4/20 0.52
TNNI3 P19429 1/20 0.52
TNNT2 P45379 1/20 0.52
TNNC1 P63316 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PSMB5 P28074 1/20 0.47

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
SCHEMBL4847170 1.00 MEN1 (0.52) MEN1KMT2AMAPTKDM4ETNNI3
Hydrochloric Acid SCHEMBL7437004 0.99 MEN1 (0.51) MEN1KMT2AMAPTKDM4ETNNI3
Hydrochloric Acid SCHEMBL7437016 0.99 MEN1 (0.51) MEN1KMT2AMAPTKDM4ETNNI3
SCHEMBL29478385 0.89 CA12 (0.54) MEN1KMT2AMAPTKDM4ETNNI3
SCHEMBL42286 0.89 CA12 (0.54) MEN1KMT2AMAPTKDM4ETNNI3
SCHEMBL298855 0.89 CA12 (0.54) MEN1KMT2AMAPTKDM4ETNNI3
SCHEMBL29367675 0.89 CA12 (0.54) MEN1KMT2AMAPTKDM4ETNNI3
SCHEMBL42287 0.89 CA12 (0.54) MEN1KMT2AMAPTKDM4ETNNI3
SCHEMBL409050 0.89 CA12 (0.54) MEN1KMT2AMAPTKDM4ETNNI3
Ammonia Solution, Strong SCHEMBL466943 0.88 CA12 (0.53) MEN1KMT2AMAPTKDM4ETNNI3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012112945-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS TO TREAT TUBERCULOSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-08-23 WO claimed
US-9750789-B2 Use of matrix metalloproteinase inhibitors to treat tuberculosis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-09-05 US disclosed
WO-2012112945-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS TO TREAT TUBERCULOSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-08-23 WO disclosed
EP-1986657-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR Discogen, LLC (US) 2008-11-05 EP disclosed
WO-2007098099-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR DISCOGEN, LLC (US) 2007-08-30 WO disclosed