SCHEMBL11749574

SCHEMBL11749574

Nc1ccc([N+](=O)[O-])c2c1C(=O)c1c([N+](=O)[O-])ccc(N)c1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
CYP3A4 P08684 2/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60
THRB P10828 1/20 0.58
TDP1 Q9NUW8 4/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX15 P16050 1/20 0.48
CSNK2A2 P19784 2/20 0.47
CSNK2B P67870 2/20 0.47
CSNK2A1 P68400 2/20 0.47
CSNK2A3 Q8NEV1 2/20 0.47
APEX1 P27695 1/20 0.47
CASP6 P55212 1/20 0.47

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
SCHEMBL10355816 1.00 TSHR (0.60) TSHRCYP3A4TP53HPGDSMN1; SMN2
SCHEMBL11250084 1.00 TSHR (0.60) TSHRCYP3A4TP53HPGDSMN1; SMN2
SCHEMBL10356105 0.89 HPGD (0.80) TSHRCYP3A4TP53HPGDSMN1; SMN2
SCHEMBL11039315 0.89 HPGD (0.80) TSHRCYP3A4TP53HPGDSMN1; SMN2
SCHEMBL16617235 0.89 HPGD (0.80) TSHRCYP3A4TP53HPGDSMN1; SMN2
SCHEMBL10400291 0.89 HPGD (0.80) TSHRCYP3A4TP53HPGDSMN1; SMN2
SCHEMBL8777833 0.87 POLB (0.66) TSHRCYP3A4TP53HPGDSMN1; SMN2
SCHEMBL17427792 0.87 TSHR (0.75) TSHRCYP3A4TP53HPGDSMN1; SMN2
SCHEMBL2205543 0.82 S100A4 (0.66) TSHRCYP3A4TP53HPGDSMN1; SMN2
SCHEMBL29400632 0.82 S100A4 (0.66) TSHRCYP3A4TP53HPGDSMN1; SMN2

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
US-4046785-A Process for preparing aminoanthraquinones MITSUI TOATSU CHEMICALS, INC. (JA) 1977-09-06 US disclosed