3-Nitrobenzaldehyde

3-Nitrobenzaldehyde

SCHEMBL2181083

O=Cc1ccc(Cl)cc1.O=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
NFE2L2 Q16236 3/20 0.54
FBP1 P09467 2/20 0.53
VCP P55072 1/20 0.53
HSD17B10 Q99714 1/20 0.52
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
VCAM1 P19320 1/20 0.50
MAPK1 P28482 1/20 0.49
AMY1A P0DUB6 1/20 0.48
HTT P42858 1/20 0.48
GLO1 Q04760 1/20 0.48
TRPV1 Q8NER1 1/20 0.47

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
3-Nitrobenzaldehyde SCHEMBL28142994 0.88 CYP19A1 (0.52) CYP19A1ALDH1A1TDP1NFE2L2FBP1
3-Nitrobenzaldehyde SCHEMBL54487 0.88 NFE2L2 (0.67) CYP19A1ALDH1A1TDP1NFE2L2FBP1
3-Nitrobenzaldehyde SCHEMBL29573715 0.88 NFE2L2 (0.67) CYP19A1ALDH1A1TDP1NFE2L2FBP1
3-Nitrobenzaldehyde SCHEMBL27737710 0.86 NFE2L2 (0.65) CYP19A1ALDH1A1TDP1NFE2L2FBP1
3-Nitrobenzaldehyde SCHEMBL27848961 0.86 NFE2L2 (0.65) CYP19A1ALDH1A1TDP1NFE2L2FBP1
3-Nitrobenzaldehyde SCHEMBL28115599 0.86 NFE2L2 (0.65) CYP19A1ALDH1A1TDP1NFE2L2FBP1
3-Nitrobenzaldehyde SCHEMBL28992832 0.86 NFE2L2 (0.65) CYP19A1ALDH1A1TDP1NFE2L2FBP1
3-Nitrobenzaldehyde SCHEMBL9485107 0.86 ALDH1A1 (0.49) CYP19A1ALDH1A1TDP1NFE2L2FBP1
3-Nitrobenzaldehyde SCHEMBL11144750 0.84 NFE2L2 (0.62) CYP19A1ALDH1A1NFE2L2FBP1VCP
SCHEMBL18971600 0.83 CYP19A1 (0.81) CYP19A1ALDH1A1TDP1NFE2L2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9976103-B2 Lubricating composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2018-05-22 US disclosed
EP-2513269-B1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT LUBRIZOL CORP (US) 2017-10-25 EP disclosed
US-9708563-B2 Lubricating composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2017-07-18 US disclosed
US-20150267140-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT LUBRIZOL CORP (US) 2015-09-24 US disclosed
US-20130172221-A1 Lubricating Composition Containing an Antiwear Agent THE LUBRIZOL CORPORATION (US) 2013-07-04 US disclosed
US-20120309657-A1 Lubricating Composition Containing an Antiwear Agent THE LUBRIZOL CORPORATION (US) 2012-12-06 US disclosed
EP-2513269-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT The Lubrizol Corporation (US) 2012-10-24 EP disclosed
WO-2011081835-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT THE LUBRIZOL CORPORATION (US) 2011-07-07 WO disclosed