SCHEMBL6153756

SCHEMBL6153756

CCN(CC)CCOc1ccc([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 5/20 0.52
CYP19A1 P11511 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
RAB9A P51151 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KCNH2 Q12809 1/20 0.46
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL4667850 0.91 CYP19A1 (0.61) SMN1; SMN2ALDH1A1CYP19A1L3MBTL1HTT
SCHEMBL24900749 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP19A1HTTRAB9A
SCHEMBL30957607 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP19A1HTTRAB9A
SCHEMBL11414383 0.88 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1CYP19A1HTTRAB9A
SCHEMBL222384 0.87 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1CYP19A1HTTRAB9A
SCHEMBL11418328 0.86 RAB9A (0.58) SMN1; SMN2ALDH1A1CYP19A1HTTRAB9A
SCHEMBL11419008 0.86 RAB9A (0.58) SMN1; SMN2ALDH1A1CYP19A1HTTRAB9A
SCHEMBL10661602 0.85 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CYP19A1HTTRAB9A
SCHEMBL6576043 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CYP19A1HTTRAB9A
SCHEMBL24900403 0.85 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP19A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064252-B1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS OREAL (FR) 2005-06-15 EP disclosed
US-6419711-B1 PHENOLIC COMPOUND COUPLER L'OREAL (FR) 2002-07-16 US disclosed
EP-1064252-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 2001-01-03 EP disclosed
WO-1999048856-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 1999-09-30 WO disclosed
US-4330292-A CONTAINING AN OXIDATION BASE L'OREAL (FR) 1982-05-18 US disclosed