SCHEMBL8893419

SCHEMBL8893419

O=C1c2cc(CO)ccc2-c2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.58
MCL1 Q07820 2/20 0.58
S100A4 P26447 1/20 0.57
PTPRC P08575 1/20 0.55
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 2/20 0.47
CHEK1 O14757 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.42
MAOA P21397 1/20 0.42
UGT1A1 P22309 1/20 0.42
MAOB P27338 1/20 0.42
ESR2 Q92731 1/20 0.42
LCK P06239 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
SCHEMBL3160291 0.85 ALDH1A1 (0.55) BCL2MCL1MAPK1CHEK1L3MBTL1
SCHEMBL8849638 0.84 S100A4 (0.59) BCL2MCL1S100A4PTPRCMAPK1
SCHEMBL19767754 0.83 S100A4 (0.81) BCL2MCL1S100A4PTPRCMAPK1
SCHEMBL6254969 0.82 NPC1 (0.63) BCL2MCL1S100A4PTPRCMAPK1
SCHEMBL9423354 0.82 CHEK1 (0.65) BCL2MCL1S100A4PTPRCMAPK1
SCHEMBL27534039 0.81 S100A4 (0.55) BCL2MCL1S100A4PTPRCMAPK1
SCHEMBL21416409 0.80 S100A4 (0.63) BCL2MCL1S100A4PTPRCMAPK1
SCHEMBL41511 0.80 NPC1 (0.66) BCL2MCL1S100A4PTPRCMAPK1
SCHEMBL30021053 0.80 NPC1 (0.66) BCL2MCL1S100A4PTPRCMAPK1
SCHEMBL16659000 0.79 S100A4 (0.90) BCL2MCL1S100A4PTPRCMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997004770-A1 2-(FLUORENONYL)-CARBAPENEMS, COMPOSITIONS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-13 WO disclosed
US-5541177-A BACTERICIDES MERCK & CO., INC. (US) 1996-07-30 US disclosed
US-5534507-A BACTERIA INFECTIONS MERCK & CO., INC. (US) 1996-07-09 US disclosed
US-5455239-A Cephalosporin antibiotics MERCK & CO. INC. (US) 1995-10-03 US disclosed
US-5451579-A 1-β-methyl-carbapenem, compositions containing same and methods of use MERCK & CO., INC. (US) 1995-09-19 US disclosed
WO-1995021841-A1 1-β-METHYL-CARBAPENEM, COMPOSITIONS CONTAINING SAME AND METHODS OF USE MERCK & CO., INC. (US) 1995-08-17 WO disclosed
US-5356889-A Carbapenicillins MERCK & CO., INC. (US) 1994-10-18 US disclosed
CN-1092776-A 2-(9-Fluorenone base) carbapeneme intermediate MERCK & CO INC (US) 1994-09-28 CN disclosed
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0472306-A1 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-02-26 EP disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5034384-A Bactericides, antibiotics for resistant bacteria MERCK & CO., INC. (US) 1991-07-23 US disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed