SCHEMBL14744408

SCHEMBL14744408

O=[N+]([O-])c1ccc(Cl)c(F)c1Br

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.41
VCAM1 P19320 8/20 0.41
HSD17B10 Q99714 1/20 0.38
PDE7A Q13946 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
PDE7B Q9NP56 1/20 0.36
HIF1A Q16665 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL26071414 0.85 TDP1 (0.52) ALDH1A1MAPTTDP1TSHRMAPK1
SCHEMBL30490230 0.82 TDP1 (0.57) ALDH1A1TDP1TSHRMAPK1ATM
SCHEMBL8013048 0.82 TDP1 (0.57) ALDH1A1TDP1TSHRMAPK1ATM
SCHEMBL10996737 0.80 TDP1 (0.67) ALDH1A1MAPTTDP1TSHRMAPK1
SCHEMBL29793298 0.80 MAPT (0.56) ALDH1A1MAPTTDP1TSHRMAPK1
SCHEMBL27557557 0.80 ALDH1A1 (0.56) ALDH1A1MAPTTDP1TSHRMAPK1
SCHEMBL306584 0.80 TDP1 (0.67) ALDH1A1TDP1TSHRMAPK1ATM
SCHEMBL632916 0.80 MAPT (0.56) ALDH1A1MAPTTDP1TSHRMAPK1
SCHEMBL29417506 0.80 TDP1 (0.67) ALDH1A1TDP1TSHRMAPK1ATM
SCHEMBL25247609 0.77 ALDH1A1 (0.41) ALDH1A1MAPTTDP1TSHRMAPK1

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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed