2-Nitrobenzaldehyde

2-Nitrobenzaldehyde

SCHEMBL1685299

C1CCNCC1.O=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP2 O95551 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
XDH P47989 1/20 0.44
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CA12 O43570 1/20 0.42
SOS1 Q07889 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
2-Nitrobenzaldehyde SCHEMBL5654 0.84 ERN1 (0.66) ERN1ALDH1A1MAPTRAB9ANPC1
2-Nitrobenzaldehyde SCHEMBL29672618 0.84 ERN1 (0.66) ERN1ALDH1A1MAPTRAB9ANPC1
2-Nitrobenzaldehyde SCHEMBL28981617 0.82 ERN1 (0.63) ERN1ALDH1A1MAPTTDP1XDH
2-Nitrobenzaldehyde SCHEMBL28865451 0.82 ERN1 (0.63) ERN1MAPTRAB9ANPC1TDP1
2-Nitrobenzaldehyde SCHEMBL9323445 0.82 ERN1 (0.63) ERN1ALDH1A1MAPTRAB9ANPC1
2-Nitrobenzaldehyde SCHEMBL27794898 0.82 ERN1 (0.63) ERN1ALDH1A1MAPTRAB9ANPC1
Pyrrolidine SCHEMBL27371807 0.81 MAPT (0.53) ALDH1A1MAPTRAB9ANPC1MAPK1
2-Nitrobenzaldehyde SCHEMBL9812419 0.81 ERN1 (0.61) ERN1ALDH1A1MAPTRAB9ANPC1
2-Nitrobenzaldehyde SCHEMBL27303251 0.81 ERN1 (0.61) ERN1ALDH1A1MAPTRAB9ANPC1
Ortho-Phthalaldehyde SCHEMBL7621085 0.80 LMNA (0.59) ERN1ALDH1A1RAB9ANPC1TDP1

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
US-7932316-B2 Two endcapped polymers, one by a hydroxyl or amine group, and the other by a nitrobenzaldehyde piperidine hydrazone group, and a uniformly distributed particulate filler; exhibits both an increased gum viscosity and a decreased compound viscosity; improved rolling resistance, fuel efficiency BRIDGESTONE CORPORATION (JP) 2011-04-26 US claimed
US-20080161478-A1 PROCESSABLE RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2008-07-03 US claimed