Dinitrophenylene

Dinitrophenylene

SCHEMBL28343244

COS(=O)(=O)c1ccccc1.O=[N+]([O-])c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
LMNA P02545 3/20 0.55
TSHR P16473 2/20 0.55
CA2 P00918 2/20 0.54
CA5A P35218 1/20 0.54
F2 P00734 2/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PGR P06401 1/20 0.49

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
Nitrobenzene SCHEMBL28829609 0.92 LMNA (0.57) KMT2AGAAHTTLMNACA2
SCHEMBL1317032 0.90 KMT2A (0.66) KMT2AGAAHTTLMNATSHR
Dinitrophenylene SCHEMBL27503833 0.89 CYP1A2 (0.57) KMT2AGAAHTTLMNATSHR
SCHEMBL28261651 0.89 KMT2A (0.64) KMT2AGAAHTTLMNATSHR
SCHEMBL28313032 0.88 ALDH1A1 (0.52) KMT2AHTTLMNACA2CA5A
Dinitrophenylene SCHEMBL28111313 0.86 CYP1A2 (0.54) KMT2AGAAHTTLMNATSHR
Phenol SCHEMBL28085209 0.84 KMT2A (0.51) KMT2AGAAHTTTSHRCA2
Nitrobenzene SCHEMBL27503832 0.84 ACHE (0.53) KMT2AHTTLMNATSHRCA2
SCHEMBL468315 0.81 CA1 (0.55) KMT2ACA2CA5AF2PRSS1
Dinitrophenylene SCHEMBL27829072 0.80 TSHR (0.50) KMT2AGAAHTTLMNATSHR

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-110515270-A The manufacture of photosensitive polymer combination, pattern forming method and optical semiconductor device SHINETSU CHEMICAL CO 2019-11-29 CN disclosed