SCHEMBL8074050

SCHEMBL8074050

Nc1cc(N2CCCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.97
MAPT P10636 15/20 0.73
RECQL P46063 1/20 0.73
SIRT6 Q8N6T7 1/20 0.73
HPGD P15428 2/20 0.68
ALDH1A1 P00352 9/20 0.67
CYP1A2 P05177 3/20 0.67
CYP2C19 P33261 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CYP2C9 P11712 2/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAPK1 P28482 2/20 0.58
CYP3A4 P08684 1/20 0.57

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
SCHEMBL3381562 1.00 LMNA (0.97) LMNAMAPTRECQLSIRT6HPGD
SCHEMBL3109069 0.98 LMNA (1.00) LMNAMAPTRECQLSIRT6HPGD
SCHEMBL30059159 0.98 LMNA (1.00) LMNAMAPTRECQLSIRT6HPGD
SCHEMBL25877527 0.95 LMNA (0.94) LMNAMAPTRECQLSIRT6HPGD
SCHEMBL18393128 0.86 LMNA (0.72) LMNAMAPTRECQLSIRT6HPGD
SCHEMBL14892360 0.86 SIRT6 (0.89) LMNAMAPTRECQLSIRT6HPGD
SCHEMBL979867 0.85 LMNA (0.77) LMNAMAPTRECQLSIRT6HPGD
SCHEMBL25855470 0.85 HPGD (0.73) LMNAMAPTHPGDALDH1A1CYP1A2
SCHEMBL25369256 0.84 LMNA (0.70) LMNAMAPTRECQLSIRT6HPGD
SCHEMBL77148 0.84 SIRT6 (1.00) LMNAMAPTRECQLSIRT6ALDH1A1

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
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed