SCHEMBL6927792

SCHEMBL6927792

O=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.56
PTGES O14684 1/20 0.55
GAA P10253 3/20 0.52
PDE7A Q13946 5/20 0.48
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE7B Q9NP56 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
GUCY1B2 O75343 1/20 0.44
GUCY1A2 P33402 1/20 0.44
GUCY1A1 Q02108 1/20 0.44
GUCY1B1 Q02153 1/20 0.44
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL6929722 0.86 GAA (0.55) ERN1PTGESGAAPDE7APDE4B
SCHEMBL6922508 0.86 PDE7A (0.55) ERN1PTGESGAAPDE7APDE4B
SCHEMBL6927608 0.86 GAA (0.52) ERN1PTGESGAAPDE7APDE4B
SCHEMBL6929731 0.86 GAA (0.69) ERN1PTGESGAAPDE7APDE4B
SCHEMBL4748682 0.85 PDE7A (0.64) ERN1PTGESGAAPDE7APDE4B
SCHEMBL6926310 0.83 PTGES (0.56) ERN1PTGESGAAPDE7APDE4B
SCHEMBL6926325 0.82 GAA (0.58) ERN1PTGESGAAPDE7APDE4B
SCHEMBL6928500 0.82 PDE7A (0.54) ERN1PTGESGAAPDE7APDE4B
SCHEMBL6929282 0.82 GAA (0.52) ERN1PTGESGAAPDE7APDE4B
SCHEMBL6926312 0.81 ALDH1A1 (0.56) ERN1PTGESGAAPDE7APDE4B

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