SCHEMBL9684725

SCHEMBL9684725

NC(=O)c1cc(Br)cc2c1C(=O)c1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.53
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.47
PTPRC P08575 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 2/20 0.42
MAPK1 P28482 2/20 0.42
TTR P02766 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
MCL1 Q07820 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL9423302 0.85 MAPT (0.62) ALDH1A1MAPTLMNAPTPRCL3MBTL1
SCHEMBL9684473 0.80 MAPT (0.54) ALDH1A1MAPTLMNAPTPRCKMT2A
SCHEMBL7829487 0.78 KEAP1 (0.73) GRK6KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL9683960 0.77 GRK6 (0.49) GRK6KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL9316584 0.77 KEAP1 (0.57) GRK6KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL11077569 0.76 MCL1 (0.58) ALDH1A1MAPTLMNAPTPRCL3MBTL1
SCHEMBL9270325 0.75 PTPRC (0.57) ALDH1A1MAPTLMNAPTPRCL3MBTL1
SCHEMBL7121384 0.74 KEAP1 (0.86) GRK6KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL8954279 0.73 PTPRC (0.50) ALDH1A1MAPTLMNAPTPRCL3MBTL1
SCHEMBL27637350 0.73 KEAP1 (0.83) GRK6KEAP1NFE2L2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed