SCHEMBL7574424

SCHEMBL7574424

O=C(O)CCC(CC[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
HBB P68871 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
FOLH1 Q04609 4/20 0.38
TET2 Q6N021 3/20 0.37
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
TET3 O43151 1/20 0.37
ANPEP P15144 3/20 0.36
ENPEP Q07075 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35

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
SCHEMBL725597 0.91 LMNA (0.48) BLMMEN1LMNAHBBKMT2A
SCHEMBL23429896 0.83 LMNA (0.41) BLMMEN1LMNAHBBKMT2A
SCHEMBL7694858 0.82 HDAC1 (0.41) BLMMEN1LMNAHBBKMT2A
SCHEMBL23429927 0.82 LMNA (0.44) BLMMEN1LMNAHBBKMT2A
SCHEMBL23429936 0.80 LMNA (0.46) LMNAENPEPALDH1A1CYP1A2CYP2D6
SCHEMBL23429951 0.80 LMNA (0.46) LMNAENPEPALDH1A1CYP1A2CYP2D6
SCHEMBL23429918 0.80 LMNA (0.46) LMNAENPEPALDH1A1CYP1A2CYP2D6
SCHEMBL23429924 0.80 LMNA (0.46) LMNAENPEPALDH1A1CYP1A2CYP2D6
SCHEMBL23429903 0.80 LMNA (0.46) LMNAENPEPALDH1A1CYP1A2CYP2D6
SCHEMBL23429922 0.80 LMNA (0.46) LMNAENPEPALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6461856-B2 NUCLEOTIDE SQUENCES CODING DEHYDROGENASE; FOR USE IN POLLUTION CONTROL E. I. DU PONT DE NEMOURS & COMPANY 2002-10-08 US disclosed
US-20020042117-A1 Genes encoding picric acid degradation ROUVIERE PIERRE E (US) 2002-04-11 US disclosed
US-6355470-B1 Genes encoding picric acid degradation E. I. DU PONT DE NEMOURS AND COMPANY 2002-03-12 US disclosed