SCHEMBL4608484

SCHEMBL4608484

COc1[c]cc([N+](=O)[O-])cc1-c1cc(Cl)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPBWR1 P48145 1/20 0.36
ALDH1A1 P00352 1/20 0.36
S1PR4 O95977 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
PDE7A Q13946 3/20 0.33
PDE7B Q9NP56 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPRC P08575 1/20 0.33
S100A4 P26447 1/20 0.33
PYGL P06737 1/20 0.32
AMY1A P0DUB6 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL10770281 0.87 HSD17B10 (0.38) KCNMA1TDP1ALDH1A1HTTTSHR
SCHEMBL4439373 0.81 AMY1A (0.33) TDP1ALDH1A1F11KLKB1S100A4
SCHEMBL4609612 0.79 HSD17B10 (0.45) KCNMA1TDP1ALDH1A1HTTMAPK1
SCHEMBL4608485 0.76 TSHR (0.38) TDP1F11KLKB1PDE7APDE7B
SCHEMBL4439375 0.69 F11 (0.33) ALDH1A1F11KLKB1TSHRS100A4
SCHEMBL11219131 0.68 AHR (0.43) ALDH1A1S100A4
SCHEMBL7741732 0.68 PTPRC (0.63) TDP1ALDH1A1PDE7ATSHRMAPK1
SCHEMBL8129611 0.68 HTT (0.51) TDP1ALDH1A1HTTKMT2A
SCHEMBL8319496 0.68 PDGFRB (0.45) TDP1ALDH1A1HTTTSHRMEN1
SCHEMBL20598903 0.66 S100A4 (0.52) TDP1ALDH1A1TSHRS100A4AMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed