SCHEMBL8893469

SCHEMBL8893469

N[C@@H]1CNc2ccccc2N(CC(=O)O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
PDPK1 O15530 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACE P12821 5/20 0.38
MME P08473 1/20 0.38
XIAP P98170 1/20 0.37
PYGL P06737 1/20 0.37

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
SCHEMBL645717 0.85 LMNA (0.43) MEN1KMT2AXIAPPYGL
Hydrochloric Acid SCHEMBL645716 0.84 LMNA (0.42) MEN1KMT2AXIAPPYGL
SCHEMBL5620305 0.78 MEN1 (0.35) MEN1KMT2AXIAP
SCHEMBL5620313 0.78 MEN1 (0.35) MEN1KMT2AXIAP
Hydrochloric Acid SCHEMBL4433659 0.77 XIAP (0.34) MEN1KMT2AXIAP
Hydrochloric Acid SCHEMBL4433664 0.77 XIAP (0.34) MEN1KMT2AXIAP
SCHEMBL4891481 0.76 AADAT (0.59) PDPK1ACEMMEPYGL
SCHEMBL9698792 0.76 TSHR (0.57) CA12CA9MEN1KMT2A
SCHEMBL8207671 0.75 LMNA (0.38) MEN1KMT2A
SCHEMBL4434136 0.75 GAA (0.51) MEN1KMT2AXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677297-A ENZYME INHIBITOR FOR TREATING THE HEART FAILURE TO REDUCE THE CARDIAC PRESSURE, DIURETICS SOLVAY PHARMACEUTICALS GMBH (DE) 1997-10-14 US disclosed