SCHEMBL5580975

SCHEMBL5580975

NCCCC[C@H](NC(=O)c1ccccc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.59
SSTR3 P32745 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HDAC4 P56524 2/20 0.45
MEF2D Q14814 2/20 0.45
HDAC1 Q13547 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PLG P00747 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
MMP2 P08253 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL4894982 0.86 PDF (0.62) PDFSSTR3SMN1; SMN2RAB9ANPC1
SCHEMBL10440716 0.86 PDF (0.62) PDFSSTR3SMN1; SMN2RAB9ANPC1
SCHEMBL11243260 0.82 PDF (0.43) PDFSSTR3SMN1; SMN2MAPTRAB9A
SCHEMBL34460413 0.82 PDF (0.66) PDFSSTR3MAPTALDH1A1PLG
SCHEMBL20303609 0.82 PDF (0.69) PDFSSTR3SMN1; SMN2MAPTNPC1
SCHEMBL20303610 0.82 PDF (0.69) PDFSSTR3SMN1; SMN2MAPTNPC1
SCHEMBL11243267 0.81 CA1 (0.44) PDFSSTR3SMN1; SMN2RAB9AALDH1A1
Hydrochloric Acid SCHEMBL31456028 0.81 PDF (0.68) PDFSSTR3SMN1; SMN2MAPTNPC1
SCHEMBL1674876 0.78 SSTR3 (0.64) PDFSSTR3HDAC4HDAC1
SCHEMBL8681772 0.78 SSTR3 (0.57) PDFSSTR3MAPTRAB9ANPC1

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-20070111222-A1 Nucleic acid aptamer-based compositions and methods THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-05-17 US disclosed
WO-2005051174-A2 NUCLEIC ACID APTAMER-BASED COMPOSITIONS AND METHODS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-06-09 WO disclosed