SCHEMBL11113945

SCHEMBL11113945

CCCC(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 6/20 0.46
GPR35 Q9HC97 2/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 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
SCHEMBL10895136 0.87 TDP1 (0.50) TDP1GRM8GRM4CYP1A2ALDH1A1
SCHEMBL9026746 0.86 TDP1 (0.46) TDP1GRM8GRM4CYP1A2ALDH1A1
SCHEMBL20623073 0.86 TDP1 (0.46) TDP1GRM8GRM4CYP1A2ALDH1A1
SCHEMBL9026753 0.84 GRM8 (0.48) TDP1GRM8GRM4CYP1A2ALDH1A1
SCHEMBL6841592 0.83 TDP1 (0.44) TDP1GRM8GRM4CYP1A2ALDH1A1
SCHEMBL6841595 0.81 MAPK1 (0.44) TDP1GRM8GRM4CYP1A2ALDH1A1
SCHEMBL8643545 0.79 GRM8 (0.47) TDP1GRM8GRM4CYP1A2ALDH1A1
SCHEMBL9735630 0.78 PDK1 (0.55) TDP1GRM8GRM4CYP1A2ALDH1A1
SCHEMBL11769974 0.77 CYP1A2 (0.58) TDP1GRM8GRM4CYP1A2ALDH1A1
SCHEMBL4197252 0.77 CYP1A2 (0.50) TDP1GRM8GRM4CYP1A2ALDH1A1

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-0107027-A1 Hair dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1984-05-02 EP disclosed