SCHEMBL7501829

SCHEMBL7501829

Cc1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.38
PIM3 Q86V86 2/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KCNH2 Q12809 1/20 0.36
CTSK P43235 2/20 0.36
KDM4D Q6B0I6 3/20 0.36
SUV39H2 Q9H5I1 7/20 0.35
PDE10A Q9Y233 1/20 0.35
SYK P43405 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
DYRK3 O43781 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34

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
SCHEMBL7506081 1.00 SCN5A (0.38) SCN5APIM3PIM1PIM2KCNH2
SCHEMBL15256899 0.93 PIM1 (0.36) PIM3PIM1PIM2CTSKKDM4D
SCHEMBL10208012 0.93 PIM1 (0.36) PIM3PIM1PIM2CTSKKDM4D
SCHEMBL7509631 0.91 PIM1 (0.35) PIM3PIM1PIM2CTSKKDM4D
SCHEMBL8561869 0.88 DYRK3 (0.44) SCN5APIM3KCNH2DYRK3SRPK1
SCHEMBL6795089 0.88 KCNH2 (0.36) SCN5AKCNH2
SCHEMBL6795091 0.88 KCNH2 (0.36) SCN5AKCNH2
SCHEMBL6795087 0.88 KCNH2 (0.36) SCN5AKCNH2
SCHEMBL8571984 0.87 SCN5A (0.39) SCN5AKCNH2
Trifluoroacetic Acid SCHEMBL6177905 0.87 EIF2AK4 (0.35) SCN5A

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
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 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
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed