SCHEMBL7585652

SCHEMBL7585652

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
NOS1 P29475 2/20 0.40
MEN1 O00255 1/20 0.40
NOS3 P29474 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
Nitric Acid SCHEMBL7103207 0.74 CA5A (0.35)
Hydrochloric Acid SCHEMBL27918591 0.72 LMNA (0.51) LMNANOS1MEN1NOS3KMT2A
Hydrochloric Acid SCHEMBL7295060 0.71 NOS1 (0.55) LMNANOS1MEN1NOS3KMT2A
SCHEMBL30525451 0.68
SCHEMBL6890012 0.66
SCHEMBL2519794 0.66 LMNA (0.46) LMNANOS1MEN1NOS3KMT2A
Sulfuric Acid SCHEMBL11560480 0.65 ALDH1A1 (0.33) NOS1KDM4E
Sulfuric Acid SCHEMBL11560479 0.65 ALDH1A1 (0.33) NOS1KDM4E
SCHEMBL9843115 0.62 POLB (0.42) NOS3POLB
SCHEMBL3164776 0.61 ALDH1A1 (0.42) LMNAKMT2AKDM4EMAPT

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-1204633-A1 METHOD FOR PRODUCING 1-METHYL-3-NITROGUANIDINE NIGU CHEMIE GMBH (DE) 2002-05-15 EP disclosed
WO-2001014323-A1 METHOD FOR PRODUCING 1-METHYL-3-NITROGUANIDINE NIGU CHEMIE GMBH (DE) 2001-03-01 WO disclosed