SCHEMBL6929818

SCHEMBL6929818

CCCN(CCC)c1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.58
ERN1 O75460 2/20 0.50
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
HCAR3 P49019 1/20 0.47
ALDH1A1 P00352 6/20 0.46
ALDH1A3 P47895 2/20 0.46
MAPT P10636 3/20 0.45
CYP19A1 P11511 2/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL6395129 0.80 ALDH3A1 (0.67) ALDH3A1TP53HTTHCAR3ALDH1A1
SCHEMBL28886073 0.80 ERN1 (0.57) ALDH3A1ERN1TP53HTTHCAR3
SCHEMBL4749290 0.79 ERN1 (0.50) ALDH3A1ERN1TP53HTTALDH1A1
SCHEMBL6819324 0.79 ALDH3A1 (0.55) ALDH3A1TP53HTTHCAR3ALDH1A1
SCHEMBL14964150 0.79 ALDH3A1 (0.50) ALDH3A1TP53HTTHCAR3ALDH1A1
SCHEMBL29951605 0.78 ALDH1A1 (0.54) ALDH3A1ERN1TP53HTTHCAR3
SCHEMBL1579080 0.76 IGF1R (0.52) ALDH3A1ALDH1A1MAPTPOLB
SCHEMBL1579082 0.76 ALDH3A1 (0.43) ALDH3A1TP53HTTHCAR3ALDH1A1
SCHEMBL1579081 0.76 IGF1R (0.52) ALDH3A1ALDH1A1MAPTPOLB
SCHEMBL13357839 0.74 ALDH3A1 (0.46) ALDH3A1TP53HTTHCAR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 WO disclosed