Nitrobenzene

Nitrobenzene

SCHEMBL10437430

Cc1ccc(Nc2ccc3c(c2)OC3)cc1C.O=[N+]([O-])c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.42
MAPK14 Q16539 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
POLB P06746 1/20 0.38

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 SCHEMBL10437459 0.87 CXCR2 (0.42) HPGDALOX12L3MBTL1LMNASMN1; SMN2
Nitrobenzene SCHEMBL10437450 0.84 AKR1C3 (0.48) HPGDALOX12L3MBTL1SMN1; SMN2MAPT
Nitrobenzene SCHEMBL10437455 0.81 MEN1 (0.46) HPGDALOX12L3MBTL1SMN1; SMN2HTT
Nitrobenzene SCHEMBL10437476 0.80 HPGD (0.44) HPGDALOX12L3MBTL1LMNASMN1; SMN2
Nitrobenzene SCHEMBL10437487 0.80 MAPT (0.48) L3MBTL1LMNASMN1; SMN2MAPTMAPK14
SCHEMBL4225477 0.71 MAPK14 (0.64) MAPK14
SCHEMBL4220114 0.70 MAPK14 (0.68) SMN1; SMN2MAPTMAPK14ALDH1A1NPC1
Nitrobenzene SCHEMBL8098284 0.67 ALDH1A1 (0.76) HPGDALOX12L3MBTL1LMNASMN1; SMN2
Nitrobenzene SCHEMBL3465396 0.67 ALDH1A1 (0.76) HPGDALOX12L3MBTL1LMNASMN1; SMN2
Benzene SCHEMBL7148507 0.67 KMT2A (0.50) HPGDL3MBTL1LMNASMN1; SMN2MAPT

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
EP-0360566-A2 Lipoxygenase/cyclooxygenase inhibiting benzoxazolones PFIZER INC. (US) 1990-03-28 EP disclosed