SCHEMBL8710732

SCHEMBL8710732

O=NN=C(N[N+](=O)[O-])N[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.32

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
SCHEMBL2535604 0.86 ALDH1A1 (0.38) ALDH1A1TP53LMNAMAPK1
SCHEMBL8581312 0.86 ALDH1A1 (0.38) ALDH1A1TP53LMNAMAPK1
SCHEMBL1536062 0.67 ALDH1A1 (0.38) ALDH1A1TP53LMNA
SCHEMBL4646956 0.67 ALDH1A1 (0.38) ALDH1A1TP53LMNA
Nitrous Acid SCHEMBL10413661 0.65
SCHEMBL5692486 0.65
SCHEMBL13496008 0.65
SCHEMBL20768164 0.64 ALDH1A1 (0.35) ALDH1A1TP53LMNAMAPK1
SCHEMBL28690372 0.64
SCHEMBL1347824 0.62

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
EP-0828819-A1 MUTANTS WHICH PRODUCE A POTENTIATOR OF BACILLUS PESTICIDAL ACTIVITY Abbott Laboratories (US) 1998-03-18 EP disclosed
WO-1996038539-A1 MUTANTS WHICH PRODUCE A POTENTIATOR OF BACILLUS PESTICIDAL ACTIVITY ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed