Nitrobenzene

Nitrobenzene

SCHEMBL28829609

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

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
CA2 P00918 4/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA5A P35218 3/20 0.46
HSD11B1 P28845 1/20 0.45
CA1 P00915 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44

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
SCHEMBL28313032 0.96 ALDH1A1 (0.52) LMNAALDH1A1KMT2AHTTCA2
Dinitrophenylene SCHEMBL28343244 0.92 KMT2A (0.57) LMNAALDH1A1KMT2AHTTGAA
Nitrobenzene SCHEMBL27503832 0.92 ACHE (0.53) LMNAALDH1A1KMT2AHTTCA2
SCHEMBL468315 0.89 CA1 (0.55) ALDH1A1KMT2ACA2CA12CA9
SCHEMBL1317032 0.84 KMT2A (0.66) LMNAALDH1A1KMT2AHTTGAA
Nitrobenzene SCHEMBL28208555 0.84 ACHE (0.45) LMNAALDH1A1KMT2ACA2CA12
SCHEMBL28261651 0.83 KMT2A (0.64) LMNAALDH1A1KMT2AHTTGAA
SCHEMBL94530 0.82 HTR6 (0.50) ALDH1A1KMT2ACA2CA12CA9
Nitrobenzene SCHEMBL27684151 0.80 ALDH1A1 (0.80) LMNAALDH1A1KMT2AHTTHPGD
SCHEMBL417960 0.80 HTR6 (0.48) ALDH1A1KMT2ACA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106409652-A Composition for forming silicon oxide layer, method for manufacturing silicon oxide layer, and electronic device 三星SDI株式会社 2017-02-15 CN disclosed
CN-105713512-A Composition for forming silica-based layer, method for manufacturing silica-based layer, and electronic device 三星SDI株式会社 2016-06-29 CN disclosed