SCHEMBL8575780

SCHEMBL8575780

Cc1c(N2CC(CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.40
SCN5A Q14524 1/20 0.40
TOP1 P11387 5/20 0.36
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
FLT4 P35916 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PRKCD Q05655 1/20 0.33
PAK1 Q13153 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
PIM2 Q9P1W9 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
Hydrochloric Acid SCHEMBL8561939 0.99 KCNH2 (0.40) KCNH2SCN5ATOP1PIM1CDK2
SCHEMBL5570863 0.93 KCNH2 (0.48) KCNH2SCN5ATOP1PIM1CDK2
SCHEMBL5567931 0.93 KCNH2 (0.48) KCNH2SCN5ATOP1PIM1CDK2
SCHEMBL5278078 0.93 KCNH2 (0.48) KCNH2SCN5ATOP1PIM1CDK2
Hydrochloric Acid SCHEMBL7507134 0.93 KCNH2 (0.47) KCNH2SCN5ATOP1PIM1CDK2
SCHEMBL8567585 0.92 KCNH2 (0.43) KCNH2SCN5ATOP1PIM1CDK2
SCHEMBL8600110 0.91 KCNH2 (0.42) KCNH2SCN5ATOP1PIM1CDK2
SCHEMBL8563854 0.91 SCN5A (0.38) KCNH2SCN5A
Hydrochloric Acid SCHEMBL7494375 0.91 KCNH2 (0.42) KCNH2SCN5ATOP1PIM1CDK2
Hydrochloric Acid SCHEMBL7545787 0.90 KCNH2 (0.41) KCNH2SCN5ATOP1PIM1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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