SCHEMBL4747577

SCHEMBL4747577

O=[N+]([O-])c1ccc(C(Cl)(Cl)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.55
ALDH1A1 P00352 4/20 0.53
GPR35 Q9HC97 3/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CES2 O00748 1/20 0.41

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
SCHEMBL446475 0.81 TDP1 (0.55) TDP1ALDH1A1GPR35TSHRMAPK1
SCHEMBL8147133 0.81 ALDH1A1 (0.58) TDP1ALDH1A1GPR35TSHRMAPK1
SCHEMBL11300569 0.81 HSD17B10 (0.62) TDP1ALDH1A1TSHRMAPK1HIF1A
SCHEMBL11865353 0.80 TDP1 (0.46) TDP1ALDH1A1GPR35TSHRMAPK1
SCHEMBL11856556 0.79 ALDH1A1 (0.47) TDP1ALDH1A1GPR35TSHRMAPK1
SCHEMBL11451357 0.78 HSD17B10 (0.44) TDP1ALDH1A1GPR35TSHRMAPK1
SCHEMBL17704246 0.78 TDP1 (0.52) TDP1ALDH1A1GPR35TSHRMAPK1
SCHEMBL3656487 0.78 TDP1 (0.52) TDP1ALDH1A1GPR35TSHRMAPK1
SCHEMBL7945433 0.77 HSD17B10 (0.62) TDP1ALDH1A1TSHRMAPK1TP53
SCHEMBL28840504 0.77 ALDH1A1 (0.56) TDP1ALDH1A1TSHRMAPK1HPGD

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-2008118784-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY TARGANTA THERAPEUTICS CORP. (US) 2008-10-02 WO disclosed