SCHEMBL5317344

SCHEMBL5317344

Oc1cc(F)ccc1Oc1ccc(Cl)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.42
KCNQ2 O43526 6/20 0.42
KCNE1 P15382 3/20 0.42
KCNQ1 P51787 3/20 0.42
PNLIP P16233 1/20 0.40
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
EPX P11678 1/20 0.38
LPO P22079 1/20 0.38
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
BACE1 P56817 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
PGR P06401 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5316441 0.84 TTR (0.53) PNLIPMPOTPOEPXLPO
SCHEMBL5317845 0.82 AR (0.44) MPOTPOEPXLPOHTR2A
SCHEMBL3650668 0.77 MEN1 (0.44) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL11547858 0.74 KCNQ3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1MPO
SCHEMBL1956720 0.74 FFAR4 (0.47) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5316491 0.73 MET (0.37) NR1I2LMNATTRPGRHSP90AA1
SCHEMBL15832088 0.73 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1MPO
SCHEMBL14656241 0.72 NPC1 (0.50) KCNQ3KCNQ2KCNE1KCNQ1TTR
SCHEMBL7182380 0.72 TTR (0.58) PNLIPHTR2ASLC6A4KCNH2NR1I2
SCHEMBL18347253 0.72 TTR (0.61) PNLIPHTR2ASLC6A4LMNATTR

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
WO-2007079173-A2 NOVEL 2-HETEROARYLOXY-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT BIOSOLUTIONS INC. (US) 2007-07-12 WO disclosed
WO-2007079173-A2 NOVEL 2-HETEROARYLOXY-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT BIOSOLUTIONS INC. (US) 2007-07-12 WO disclosed