SCHEMBL6227151

SCHEMBL6227151

O=[N+]([O-])c1c(F)ccc(Br)c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HIF1A Q16665 1/20 0.36
VCAM1 P19320 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
RIPK1 Q13546 1/20 0.33
TSHR P16473 1/20 0.32
PTGER4 P35408 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.31
CASP6 P55212 1/20 0.31
TYMS P04818 1/20 0.31
PDE7A Q13946 2/20 0.30
PDE7B Q9NP56 2/20 0.30
CYP2D6 P10635 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
PMM2 O15305 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
SCHEMBL28451753 0.84 ALDH1A1 (0.37) ALDH1A1TDP1TSHRPTGER4TYMS
SCHEMBL29686335 0.80 VCP (0.40) VCPALDH1A1HIF1AVCAM1TDP1
SCHEMBL22687129 0.80 ALDH1A1 (0.38) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL16739101 0.80 VCP (0.40) VCPALDH1A1HIF1AVCAM1TDP1
SCHEMBL8817806 0.78 TDP1 (0.47) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL30159235 0.77 GRIN2D (0.41) VCPALDH1A1HIF1AVCAM1TDP1
SCHEMBL30297073 0.77 PTGER4 (0.48) VCPALDH1A1HIF1AVCAM1TDP1
SCHEMBL20797684 0.77 PTGER4 (0.48) VCPALDH1A1HIF1AVCAM1TDP1
SCHEMBL102949 0.77 S100A4 (0.40) VCPALDH1A1HIF1AVCAM1TDP1
SCHEMBL2463690 0.77 GRIN2D (0.41) VCPALDH1A1HIF1AVCAM1TDP1

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-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed