SCHEMBL11061364

SCHEMBL11061364

CC(C)C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
HCAR3 P49019 3/20 0.50
APP P05067 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
KCNMA1 Q12791 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL11055359 0.89 ALDH1A1 (0.67) ALDH1A1MAPTHCAR3APPL3MBTL1
SCHEMBL11201036 0.89 ALDH1A1 (0.67) ALDH1A1MAPTHCAR3APPL3MBTL1
SCHEMBL17846944 0.81 L3MBTL1 (0.54) ALDH1A1MAPTHCAR3APPL3MBTL1
SCHEMBL7369772 0.81 HCAR3 (0.61) ALDH1A1MAPTHCAR3APPL3MBTL1
SCHEMBL11066613 0.77 KMT2A (0.49) ALDH1A1MAPTL3MBTL1NPSR1PKM
SCHEMBL7349466 0.77 L3MBTL1 (0.49) ALDH1A1MAPTHCAR3APPL3MBTL1
SCHEMBL9280612 0.76 APP (0.52) ALDH1A1MAPTHCAR3APPL3MBTL1
SCHEMBL5137640 0.74 MAPT (0.69) ALDH1A1MAPTHCAR3L3MBTL1TDP1
SCHEMBL11197355 0.74 MAPT (0.69) ALDH1A1MAPTHCAR3L3MBTL1TDP1
SCHEMBL31429843 0.74 MAPT (0.69) ALDH1A1MAPTHCAR3L3MBTL1TDP1

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-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed