SCHEMBL7499469

SCHEMBL7499469

Cc1c(N2CCC(N3CCCCC3)CC2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.41
TOP2A P11388 1/20 0.41
SCN5A Q14524 1/20 0.40
KCNH2 Q12809 4/20 0.39
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRK1 P41145 1/20 0.33
USP5 P45974 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7500887 0.96 TOP1 (0.41) TOP1TOP2ASCN5AKCNH2MAPK1
SCHEMBL14515902 0.91 SCN5A (0.40) SCN5AKCNH2MAPK1LMNAHPGD
SCHEMBL7502496 0.87 SCN5A (0.40) SCN5AKCNH2MAPK1LMNAHPGD
SCHEMBL8601235 0.86 SCN5A (0.42) TOP1TOP2ASCN5AKCNH2KMT2A
SCHEMBL7503267 0.86 MAPK1 (0.38) TOP1TOP2ASCN5AKCNH2MAPK1
SCHEMBL7500891 0.86 MAPK1 (0.35) TOP1TOP2ASCN5AKCNH2MAPK1
SCHEMBL6033537 0.85 SCN5A (0.42) TOP2ASCN5AKCNH2TDP1LMNA
Hydrochloric Acid SCHEMBL7553048 0.85 SCN5A (0.42) TOP1TOP2ASCN5AKCNH2KMT2A
SCHEMBL8566201 0.85 KDM4E (0.43) TOP1TOP2ASCN5AKCNH2MAPK1
SCHEMBL7499390 0.85 SCN5A (0.45) TOP2ASCN5AKCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP claimed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN claimed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US claimed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO claimed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN claimed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO claimed
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed