SCHEMBL7420512

SCHEMBL7420512

CCCCC(N)(NC(=O)OCc1ccccc1)C(=O)Nc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
HDAC6 Q9UBN7 1/20 0.48
PKM P14618 1/20 0.47
NR3C1 P04150 4/20 0.44
KDM4E B2RXH2 1/20 0.44
GRIN2B Q13224 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
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
SCHEMBL747058 0.78 KDM4E (0.60) L3MBTL1HDAC6PKMKDM4EGRIN2B
SCHEMBL27626566 0.73 GRIN2B (0.54) L3MBTL1HDAC6PKMKDM4EGRIN2B
Hydrochloric Acid SCHEMBL7668684 0.71 MEN1 (0.49) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8981264 0.70 MEN1 (0.50) L3MBTL1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL7868066 0.69 ANPEP (0.66) L3MBTL1HDAC6PKMKDM4ECYP1A2
SCHEMBL4655422 0.69 MEN1 (0.49) L3MBTL1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL28086104 0.69 ITGB3 (0.51) L3MBTL1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL24064998 0.69 MEN1 (0.46) L3MBTL1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL7382201 0.69 ANPEP (0.71) L3MBTL1HDAC6PKMKDM4ESMN1; SMN2
SCHEMBL23318030 0.68 MBOAT4 (0.55) L3MBTL1CYP3A4SMN1; SMN2MEN1KMT2A

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-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 WO disclosed