SCHEMBL28855571

SCHEMBL28855571

O=S(=O)(O)c1ccccc1N=Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.49
FABP4 P15090 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
MAPK14 Q16539 1/20 0.49
NR4A1 P22736 1/20 0.48
POLB P06746 2/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SUMO2 P61956 1/20 0.46
SUMO1 P63165 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP2 Q9HC62 1/20 0.46
SENP1 Q9P0U3 1/20 0.46
TNNI3 P19429 1/20 0.46

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
SCHEMBL408152 0.85 POLB (0.58) POLBCYP2D6ALDH1A1TDP1SUMO2
SCHEMBL31158053 0.85 POLB (0.58) POLBCYP2D6ALDH1A1TDP1SUMO2
SCHEMBL408151 0.85 POLB (0.58) POLBCYP2D6ALDH1A1TDP1SUMO2
SCHEMBL17515775 0.83 PRMT3 (0.61) ALDH1A1TDP1TNNI3TNNT2TNNC1
Dimethylamine SCHEMBL6536143 0.83 SENP7 (0.52) POLBCYP2D6ALDH1A1TDP1HTT
SCHEMBL11144896 0.81 IDE (0.54) POLBCYP2D6ALDH1A1TDP1HSD17B10
SCHEMBL11144901 0.81 IDE (0.54) POLBCYP2D6ALDH1A1TDP1HSD17B10
SCHEMBL460751 0.81 POLB (0.73) POLBCYP2D6ALDH1A1TDP1CYP3A4
SCHEMBL460752 0.81 POLB (0.73) POLBCYP2D6ALDH1A1TDP1CYP3A4
SCHEMBL3790419 0.80 CYP1A2 (0.50) TTRFABP4CCNA2CDK2MAPK14

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-105522839-B A kind of reusable water writing paper 吉林大学 2018-02-09 CN disclosed