2-Nitrobenzaldehyde

2-Nitrobenzaldehyde

SCHEMBL9010354

CCOC(C)OCC.O=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.44
STAT3 P40763 1/20 0.42
CA12 O43570 1/20 0.42
NPC1 O15118 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
CYP19A1 P11511 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
PTBP1 P26599 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 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 SCHEMBL10457932 0.92 ERN1 (0.43) ERN1MAPTNPSR1ALDH1A1STAT3
SCHEMBL5162106 0.85 ERN1 (0.44) ERN1MAPTNPSR1ALDH1A1NPC1
2-Nitrobenzaldehyde SCHEMBL8619338 0.83 MAPT (0.51) ERN1MAPTNPSR1ALDH1A1CA12
Ortho-Phthalaldehyde SCHEMBL2474511 0.82 LMNA (0.52) ERN1NPSR1ALDH1A1LMNAMEN1
2-Nitrobenzaldehyde SCHEMBL28576898 0.81 ERN1 (0.59) ERN1MAPTNPSR1ALDH1A1CA12
SCHEMBL9700757 0.81 SMN1; SMN2 (0.45) ERN1MAPTALDH1A1LMNAMEN1
2-Nitrobenzaldehyde SCHEMBL29672618 0.80 ERN1 (0.66) ERN1MAPTNPSR1ALDH1A1CA12
2-Nitrobenzaldehyde SCHEMBL5654 0.80 ERN1 (0.66) ERN1MAPTNPSR1ALDH1A1CA12
2-Nitrobenzaldehyde SCHEMBL3323403 0.79 ERN1 (0.59) ERN1MAPTNPSR1ALDH1A1CA12
2-Nitrobenzaldehyde SCHEMBL28121927 0.79 ERN1 (0.65) ERN1MAPTNPSR1ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0091575-B1 PROCESS FOR THE PREPARATION OF O-NITROBENZALDEHYDE BAYER AG (DE) 1987-01-21 EP claimed
US-4450297-A Preparation of o-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1984-05-22 US claimed
JP-60010250-A None JP disclosed
US-5567854-A Process for separating mixtures of nitrobenzaldehyde isomers BAYER AKTIENGESELLSCHAFT (DE) 1996-10-22 US disclosed
US-4959098-A HERBICIDES, PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1990-09-25 US disclosed
EP-0177202-B1 CHELATORS WHOSE AFFINITY FOR CALCIUM IS DECREASED BY ILLUMINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-05-25 EP disclosed
US-4689432-A Chelators whose affinity for calcium is decreased by illumination THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1987-08-25 US disclosed
EP-0177202-A1 Chelators whose affinity for calcium is decreased by illumination THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-04-09 EP disclosed
JP-S6010250-A FORMATION OF PATTERN FUJITSU LTD 1985-01-19 JP disclosed
US-4450297-A Preparation of o-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed
US-4450297-A Preparation of o-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed
JP-S0610250-A 0001-01-01 JP disclosed