SCHEMBL28051551

SCHEMBL28051551

O=C(O)c1ccccc1C([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 4/20 0.45
HDAC8 Q9BY41 1/20 0.45
TSHR P16473 2/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL8653508 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AGAAMAPTTSHR
SCHEMBL9561790 0.81 ALDH1A1 (0.45) ALDH1A1ALOX15KMT2AGAATDP1
SCHEMBL4686655 0.80 ALDH1A1 (0.47) ALDH1A1ALOX15KMT2AGAATDP1
Phthalic Acid SCHEMBL6005530 0.74 ALDH1A1 (0.70) ALDH1A1ALOX15KMT2AGAAMAPT
SCHEMBL900830 0.74 ALDH1A1 (0.68) ALDH1A1ALOX15KMT2AGAATDP1
Phthalic Acid SCHEMBL16280460 0.74 ALDH1A1 (0.70) ALDH1A1ALOX15KMT2AGAAMAPT
Phthalic Acid SCHEMBL6005537 0.74 ALDH1A1 (0.70) ALDH1A1ALOX15KMT2AGAAMAPT
SCHEMBL11602789 0.74 ALDH1A1 (0.62) ALDH1A1ALOX15KMT2AGAATDP1
SCHEMBL18887594 0.74 GABRA1 (0.46) ALDH1A1ALOX15TDP1MAPTTSHR
SCHEMBL254364 0.73 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AGAATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104311448-B A kind of preparation method of dinitolmide 浙江汇能动物药品有限公司 2016-06-08 CN claimed
CN-105906523-B The synthetic method of one bulb dysentery spirit 浙江荣耀生物科技股份有限公司 2018-01-02 CN disclosed
CN-105906523-A Synthesis method of zoalene 浙江荣耀生物科技有限公司 2016-08-31 CN disclosed
CN-104311448-B A kind of preparation method of dinitolmide 浙江汇能动物药品有限公司 2016-06-08 CN disclosed