SCHEMBL9763858

SCHEMBL9763858

CS(=O)(=O)Nc1cccc([C@@H](N)[C]=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KEAP1 Q14145 1/20 0.47
POLB P06746 1/20 0.45
MAPKAPK2 P49137 1/20 0.42
KIF11 P52732 1/20 0.42
KDM1A O60341 1/20 0.42
NR3C1 P04150 1/20 0.41
BRD4 O60885 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9005712 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KEAP1POLBMAPKAPK2
SCHEMBL9005760 0.86 BRD4 (0.40) SMN1; SMN2KDM1ABRD4HTTNPC1
SCHEMBL9654387 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KEAP1POLBMAPKAPK2
SCHEMBL4370199 0.81 KEAP1 (0.52) ALDH1A1SMN1; SMN2KEAP1POLBMAPKAPK2
SCHEMBL10100499 0.78 KEAP1 (0.55) ALDH1A1SMN1; SMN2KEAP1POLBMAPKAPK2
SCHEMBL10858563 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KEAP1POLBMAPKAPK2
SCHEMBL9602078 0.77 ALDH1A1 (0.42) ALDH1A1KIF11CA1CA2
SCHEMBL698855 0.76 KEAP1 (0.70) ALDH1A1SMN1; SMN2KEAP1POLBKIF11
SCHEMBL8867745 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KEAP1POLBNR3C1
SCHEMBL11466281 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KEAP1POLBNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344197-B1 NOVEL N-1 SUBSTITUTED BETA-LACTAMS AS ANTIBIOTICS THE UPJOHN COMPANY (US) 1991-08-14 EP disclosed
US-5015737-A Antibiotics, bactericides THE UPJOHN COMPANY (US) 1991-05-14 US disclosed
US-5006650-A Antibiocides THE UPJOHN COMPANY (US) 1991-04-09 US disclosed
US-5001235-A Antibiotic beta-lactams containing a pyridone carboxylic acid or acid derivative THE UPJOHN COMPANY (US) 1991-03-19 US disclosed
US-4975538-A MICROBIOCIDES AND BETA-LACTAMASE INHIBITORS THE UPJOHN COMPANY (US) 1990-12-04 US disclosed
EP-0352269-A1 ANTIBIOTIC SULFONYLAMINOCARBONYL ACTIVATED $g(b)-LACTAMS THE UPJOHN COMPANY (US) 1990-01-31 EP disclosed
EP-0344197-A1 NOVEL N-1 SUBSTITUTED BETA-LACTAMS AS ANTIBIOTICS. UPJOHN CO (US) 1989-12-06 EP disclosed
US-4883869-A BACTERICIDES, ANTIBIOTICS THE UPJOHN COMPANY (US) 1989-11-28 US disclosed
US-4837318-A Carbonate substituted monobactams as antibiotics THE UPJOHN COMPANY (US) 1989-06-06 US disclosed
WO-1988006588-A1 ANTIBIOTIC SULFONYLAMINOCARBONYL ACTIVATED beta-LACTAMS THE UPJOHN COMPANY (US) 1988-09-07 WO disclosed
WO-1988006156-A1 NOVEL N-1 SUBSTITUTED beta-LACTAMS AS ANTIBIOTICS THE UPJOHN COMPANY (US) 1988-08-25 WO disclosed