SCHEMBL4792544

SCHEMBL4792544

N#Cc1cc2c(OS(=O)(=O)C(F)(F)F)ccnc2cn1.N#Cc1ccc(N)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.32
SLC40A1 Q9NP59 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
IDO1 P14902 4/20 0.31
EIF4EBP1 Q13541 2/20 0.31
ESR2 Q92731 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL4525281 0.91 PDE4A (0.35) SLC22A12PDE4APDE4CPDE4DIDO1
SCHEMBL2185158 0.74 PDE4A (0.34) SLC22A12PDE4APDE4CPDE4DIDO1
SCHEMBL29397704 0.69 PTGS1 (0.36) SLC22A12ESR2CA1CA2
SCHEMBL28721905 0.69 PTGS1 (0.36) SLC22A12ESR2CA1CA2
SCHEMBL14999154 0.68 SRC (0.39) SLC22A12ESR2
SCHEMBL591544 0.68 IDO1 (0.45) SLC22A12IDO1
SCHEMBL632944 0.68 LMNA (0.52) SLC22A12
SCHEMBL22492353 0.67 GAK (0.44) SLC22A12IDO1ESR2
SCHEMBL371799 0.67 PDGFRB (0.51)
SCHEMBL26632797 0.67 NR4A2 (0.45) SLC22A12PDE4APDE4CPDE4DESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891078-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006125974-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-11-30 WO disclosed