SCHEMBL29014002

SCHEMBL29014002

NN(Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
ALDH1A1 P00352 8/20 0.50
MAPK1 P28482 4/20 0.50
GPR35 Q9HC97 2/20 0.50
HIF1A Q16665 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
HSD17B10 Q99714 1/20 0.44
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
GAA P10253 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
SCHEMBL9722405 0.85 TDP1 (0.60) TDP1ALDH1A1MAPK1GPR35HIF1A
SCHEMBL8365252 0.82 TDP1 (0.56) TDP1ALDH1A1MAPK1GPR35HIF1A
SCHEMBL2675557 0.82 TDP1 (0.56) TDP1ALDH1A1MAPK1GPR35HIF1A
SCHEMBL29702809 0.82 TDP1 (0.56) TDP1ALDH1A1MAPK1GPR35HIF1A
SCHEMBL1664826 0.79 TDP1 (0.53) TDP1ALDH1A1MAPK1GPR35HIF1A
SCHEMBL28151323 0.78 TDP1 (0.47) TDP1ALDH1A1MAPK1GPR35HIF1A
SCHEMBL7808225 0.78 ALDH1A1 (0.60) TDP1ALDH1A1MAPK1GPR35HIF1A
SCHEMBL11444004 0.78 ALDH1A1 (0.58) TDP1ALDH1A1MAPK1GPR35HIF1A
SCHEMBL7155513 0.78 TDP1 (0.55) TDP1ALDH1A1MAPK1GPR35HIF1A
SCHEMBL9398090 0.77 TDP1 (0.50) TDP1ALDH1A1MAPK1GPR35HIF1A

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
CN-107001744-B Low molecular weight graft polymers for scale inhibitors 赫尔克里士有限公司 2023-06-16 CN disclosed