SCHEMBL16319782

SCHEMBL16319782

O=[N+]([O-])c1cn2c(n1)OC(COCc1ccc(I)cc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
KCNH2 Q12809 4/20 0.35
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
LMNA P02545 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
SCHEMBL16319648 0.88 CHRM1 (0.35) CHRM1KCNH2LMNA
SCHEMBL1228519 0.85 CHRM1 (0.59) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1228587 0.85 CHRM1 (0.42) CHRM1KCNH2LMNA
SCHEMBL1227949 0.85 KCNH2 (0.43) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1227270 0.83 CHRM1 (0.56) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1227363 0.79 CHRM1 (0.47) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1227806 0.78 CHRM1 (0.42) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1228715 0.78 CHRM1 (0.54) CHRM1KCNH2
SCHEMBL15442757 0.77 PTGS1 (0.40) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1226690 0.76 CHRM1 (0.48) CHRM1KCNH2PTGS1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed