SCHEMBL7644416

SCHEMBL7644416

CC[C@H](C)[C@H](Nc1nc(C(O)c2ccccc2)ns1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACE P12821 10/20 0.45
LMNA P02545 1/20 0.40
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
LTA4H P09960 2/20 0.38

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
SCHEMBL7642427 0.93 KMT2A (0.40) KMT2AL3MBTL1ACELMNA
SCHEMBL7639713 0.83 KMT2A (0.47) KMT2AL3MBTL1ACELMNA
SCHEMBL7404464 0.80 KMT2A (0.43) KMT2AL3MBTL1ACELMNALTA4H
SCHEMBL7404462 0.80 KMT2A (0.43) KMT2AL3MBTL1ACELMNALTA4H
SCHEMBL7638191 0.77 KCNK3 (0.40) KMT2AL3MBTL1ACE
SCHEMBL7643460 0.76 ACE (0.42) KMT2AL3MBTL1ACE
SCHEMBL7644425 0.73 PEPD (0.38) KMT2AL3MBTL1LMNA
SCHEMBL15251960 0.72 ACE (0.64) KMT2AL3MBTL1ACE
SCHEMBL15251959 0.72 ACE (0.64) KMT2AL3MBTL1ACE
SCHEMBL10402600 0.71 KMT2A (0.54) KMT2AL3MBTL1ACELMNALTA4H

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-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US disclosed
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US disclosed