2-Nitrobenzaldehyde

2-Nitrobenzaldehyde

SCHEMBL9812419

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

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.61
MAPT P10636 2/20 0.53
CA12 O43570 1/20 0.50
SOS1 Q07889 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
XDH P47989 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOB P27338 1/20 0.49
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45

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 0.96 ERN1 (0.66) ERN1MAPTCA12SOS1MEN1
2-Nitrobenzaldehyde SCHEMBL29672618 0.96 ERN1 (0.66) ERN1MAPTCA12SOS1MEN1
2-Nitrobenzaldehyde SCHEMBL28865451 0.94 ERN1 (0.63) ERN1MAPTCA12SOS1MEN1
2-Nitrobenzaldehyde SCHEMBL28981617 0.94 ERN1 (0.63) ERN1MAPTCA12SOS1MEN1
2-Nitrobenzaldehyde SCHEMBL9323445 0.94 ERN1 (0.63) ERN1MAPTCA12SOS1MEN1
2-Nitrobenzaldehyde SCHEMBL27794898 0.94 ERN1 (0.63) ERN1MAPTCA12SOS1MEN1
2-Nitrobenzaldehyde SCHEMBL27303251 0.92 ERN1 (0.61) ERN1MAPTCA12SOS1MEN1
2-Nitrobenzaldehyde SCHEMBL3323403 0.90 ERN1 (0.59) ERN1MAPTCA12SOS1MEN1
2-Nitrobenzaldehyde SCHEMBL28121927 0.90 ERN1 (0.65) ERN1MAPTCA12SOS1MEN1
2-Nitrobenzaldehyde SCHEMBL11730170 0.88 ERN1 (0.58) ERN1MAPTCA12SOS1MEN1

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-0433487-A1 Second harmonic wave generating device IBIDEN CO., LTD. (JP) 1991-06-26 EP claimed