SCHEMBL10796285

SCHEMBL10796285

O=[N+]([O-])Nc1c(Br)cc(I)cc1I

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
KMT2A Q03164 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
SCHEMBL10800358 0.90 MEN1 (0.33) MEN1HSP90AA1KMT2A
SCHEMBL10800640 0.85 MEN1 (0.31) MEN1HSP90AA1KMT2A
SCHEMBL10799196 0.82 ALDH1A1 (0.33)
SCHEMBL10801954 0.79 MEN1 (0.33) MEN1KMT2A
SCHEMBL11570409 0.78 CYP1A2 (0.33)
SCHEMBL10798876 0.74 MEN1 (0.34) MEN1HSP90AA1KMT2A
SCHEMBL11380871 0.72 MEN1 (0.33) MEN1HSP90AA1KMT2A
Ammonia Solution, Strong SCHEMBL11568377 0.72 MEN1 (0.33) MEN1HSP90AA1KMT2A
SCHEMBL11375965 0.72 MEN1 (0.33) MEN1HSP90AA1KMT2A
SCHEMBL10796706 0.71 NMT1 (0.35)

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-0003880-A1 Substituted phenylnitramines with plant growth regulating properties AMERICAN CYANAMID COMPANY (US) 1979-09-05 EP claimed
US-4643755-A APPLYING SUBSTITUTED PHENYL NITRAMINE AMERICAN CYANAMID COMPANY (US) 1987-02-17 US disclosed
EP-0003880-A1 Substituted phenylnitramines with plant growth regulating properties AMERICAN CYANAMID COMPANY (US) 1979-09-05 EP disclosed