SCHEMBL6929496

SCHEMBL6929496

O=Cc1cc([N+](=O)[O-])ccc1Sc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.54
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE7B Q9NP56 2/20 0.47
ERN1 O75460 1/20 0.46
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
GAA P10253 1/20 0.44
PTGES O14684 1/20 0.44
HSP90AA1 P07900 1/20 0.42
USP7 Q93009 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
NPBWR1 P48145 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
SCHEMBL6922508 0.85 PDE7A (0.55) PDE7AIDO1TDP1PDE7BERN1
SCHEMBL4748682 0.85 PDE7A (0.64) PDE7AALDH1A1TDP1PDE7BERN1
SCHEMBL10924255 0.83 PDE7A (0.76) PDE7AIDO1ALDH1A1TDP1PDE7B
SCHEMBL6927189 0.83 MAPT (0.53) PDE7ATDP1PDE7BERN1PDE4B
SCHEMBL6925412 0.81 PDE7A (0.52) PDE7AIDO1TDP1PDE7BERN1
SCHEMBL6926885 0.80 PDE7A (0.48) PDE7AALDH1A1TDP1PDE7BERN1
SCHEMBL6927470 0.79 PDE7A (0.50) PDE7AALDH1A1TDP1PDE7BERN1
SCHEMBL6927026 0.78 PDE7A (0.59) PDE7AALDH1A1TDP1PDE7BERN1
SCHEMBL6925522 0.77 GAA (0.53) PDE7AALDH1A1TDP1PDE7BERN1
SCHEMBL10923911 0.77 ALDH1A1 (0.58) PDE7AIDO1ALDH1A1TDP1PDE7B

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
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
CN-1321153-A telomerase inhibitors and methods of use thereof GERON CORP (US) 2001-11-07 CN 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