SCHEMBL11736626

SCHEMBL11736626

CC(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.76
HPGD P15428 2/20 0.65
ALDH1A1 P00352 9/20 0.62
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2C9 P11712 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 2/20 0.58
KMT2A Q03164 2/20 0.58
SIRT6 Q8N6T7 1/20 0.57
CYP3A4 P08684 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL340455 0.99 MAPT (0.78) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL10743621 0.87 SIRT6 (0.74) MAPTALDH1A1L3MBTL1SIRT6MAPK1
SCHEMBL40110 0.87 HPGD (0.62) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL341354 0.86 MAPT (1.00) MAPTHPGDALDH1A1CYP2C19CYP2C9
SCHEMBL3763530 0.86 LMNA (0.62) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL25493925 0.86 HPGD (0.61) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL44878 0.85 SIRT6 (0.79) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL27249081 0.84 LMNA (0.64) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL20509684 0.83 SIRT6 (0.81) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL27957504 0.82 MAPT (0.58) MAPTHPGDALDH1A1CYP1A2CYP2C19

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
US-4053470-A BACTERICIDES, ANTIBIOTICS PARKE, DAVIS & COMPANY (US) 1977-10-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 US disclosed