SCHEMBL16319648

SCHEMBL16319648

O=[N+]([O-])c1cn2c(n1)OC(COCc1cccc(I)c1)CC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
KCNH2 Q12809 4/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 2/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
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
SCHEMBL16319782 0.88 CHRM1 (0.41) CHRM1KCNH2LMNA
SCHEMBL1227363 0.85 CHRM1 (0.47) CHRM1KCNH2DRD4
SCHEMBL1228587 0.82 CHRM1 (0.42) CHRM1KCNH2MEN1KMT2ALMNA
SCHEMBL1226690 0.81 CHRM1 (0.48) CHRM1KCNH2
SCHEMBL1228728 0.79 CHRM1 (0.47) CHRM1KCNH2CYP4F2CYP4A11ADORA3
SCHEMBL1228519 0.79 CHRM1 (0.59) CHRM1KCNH2DRD4
SCHEMBL1227949 0.78 KCNH2 (0.43) CHRM1KCNH2
SCHEMBL1227806 0.77 CHRM1 (0.42) CHRM1KCNH2MEN1KMT2ALMNA
SCHEMBL1227270 0.76 CHRM1 (0.56) CHRM1KCNH2
SCHEMBL1227259 0.76 KCNH2 (0.55) CHRM1KCNH2IDO1

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