Nitrobenzene

Nitrobenzene

SCHEMBL10437487

COc1ccccc1Nc1ccc2c(c1)OC2.O=[N+]([O-])c1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RECQL P46063 2/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 3/20 0.45
MAPK14 Q16539 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 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
Nitrobenzene SCHEMBL10437455 0.86 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1PKM
Nitrobenzene SCHEMBL10437450 0.84 AKR1C3 (0.48) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL2320736 0.82 MAPK14 (0.60) MAPTRECQLDUSP3PTPN5PTPN11
Nitrobenzene SCHEMBL10437430 0.80 HPGD (0.44) MAPTMEN1KMT2AALDH1A1MAPK14
Nitrobenzene SCHEMBL10437459 0.79 CXCR2 (0.42) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3397565 0.78 MAPT (0.64) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL2314733 0.72 MAPK14 (0.65) MAPK14
SCHEMBL2316272 0.70 MAPK14 (0.70) MAPK14
SCHEMBL11331546 0.68 MAPT (0.62) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL10437485 0.67 CTSV (0.60) MAPTMEN1KMT2AALDH1A1MAPK1

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