SCHEMBL11209099

SCHEMBL11209099

N#Cc1cc(I)c([O])c(I)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.58
ALB P02768 2/20 0.58
VCAM1 P19320 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR35 Q9HC97 2/20 0.33
TSHR P16473 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL31038060 0.78 TTR (0.64) TTRALBVCAM1MEN1KMT2A
Ioxynil SCHEMBL1701373 0.74 TTR (1.00) TTRALBVCAM1MEN1KMT2A
SCHEMBL22197816 0.74 TTR (0.58) TTRALBVCAM1MEN1KMT2A
Ioxynil SCHEMBL39616 0.74 TTR (1.00) TTRALBVCAM1MEN1KMT2A
Ioxynil SCHEMBL8211431 0.72 TTR (0.95) TTRALBVCAM1MEN1KMT2A
Ioxynil SCHEMBL5933488 0.72 TTR (0.56) TTRALBVCAM1MEN1KMT2A
Ioxynil SCHEMBL3687268 0.72 TTR (0.95) TTRALBVCAM1MEN1KMT2A
Ioxynil SCHEMBL5934104 0.72 TTR (0.56) TTRALBVCAM1MEN1KMT2A
Ioxynil SCHEMBL1614655 0.72 TTR (0.95) TTRALBVCAM1MEN1KMT2A
SCHEMBL5542222 0.70 VCAM1 (0.44) TTRALBVCAM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031684-B1 SOLUTIONS OF BROMOXYNIL AND IOXYNIL ESTERS UNION CARBIDE CORPORATION (US) 1983-04-13 EP disclosed
US-4332613-A HERBICIDES, STABLE MIXTURES UNION CARBIDE CORPORATION (US) 1982-06-01 US disclosed
EP-0031684-A2 Solutions of bromoxynil and ioxynil esters UNION CARBIDE CORPORATION (US) 1981-07-08 EP disclosed