SCHEMBL8153445

SCHEMBL8153445

NCCCCCC(=O)OC(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 1/20 0.46
HRH1 P35367 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
LMNA P02545 3/20 0.42
NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL29120006 0.86 CES2 (0.53) ALDH1A1SMN1; SMN2KMT2ACES2CES1
SCHEMBL6078786 0.83 CES2 (0.50) ALDH1A1SMN1; SMN2KMT2ACES2CES1
SCHEMBL29120007 0.80 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2KMT2ACES2CES1
SCHEMBL9203015 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2ACES2CES1
SCHEMBL14609300 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2ACES2CES1
SCHEMBL1228223 0.77 CES2 (0.64) ALDH1A1KMT2ACES2CES1L3MBTL1
SCHEMBL31633615 0.77 CES2 (0.64) ALDH1A1KMT2ACES2CES1L3MBTL1
SCHEMBL10627623 0.75 LMNA (0.56) ALDH1A1SMN1; SMN2KMT2AHRH1CES2
SCHEMBL10627630 0.75 LMNA (0.56) ALDH1A1SMN1; SMN2KMT2AHRH1CES2
SCHEMBL7784602 0.75 TDP1 (0.49) ALDH1A1SMN1; SMN2KMT2AL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1090973-C Technetium-99m labeled peptides for imaging DIATECH INC (US) 2002-09-18 CN disclosed
US-6074627-A STABLE COMPLEX DIATIDE, INC. (US) 2000-06-13 US disclosed
US-5997844-A Technetium-99m labeled peptides for imaging DIATIDE, INC. (US) 1999-12-07 US disclosed
EP-0762901-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING DIATECH, INC. (US) 1997-03-19 EP disclosed
WO-1995033498-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING DIATECH, INC. (US) 1995-12-14 WO disclosed
EP-0637968-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING Diatide, Inc. (US) 1995-02-15 EP disclosed
WO-1993021962-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING DIATECH, INC. (US) 1993-11-11 WO disclosed