SCHEMBL10801949

SCHEMBL10801949

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
NPBWR1 P48145 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL10799196 0.87 ALDH1A1 (0.33) ALDH1A1TSHRNPBWR1
SCHEMBL10801954 0.79 MEN1 (0.33) MEN1LMNAHTTKMT2A
SCHEMBL11570409 0.79 CYP1A2 (0.33) ALDH1A1TSHRLMNA
SCHEMBL10796434 0.78 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHTTMAPK1
SCHEMBL27410297 0.77 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHTTMAPK1
SCHEMBL10796706 0.76 NMT1 (0.35)
SCHEMBL10799354 0.75 ADRA2A (0.35) ALDH1A1TSHRLMNAMAPK1
SCHEMBL10801541 0.75 ALDH1A1 (0.39) ALDH1A1TSHRNPBWR1MEN1KMT2A
SCHEMBL10796285 0.71 MEN1 (0.30) MEN1KMT2A
SCHEMBL10801328 0.71 TSHR (0.44) ALDH1A1TSHRMEN1LMNAHTT

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