SCHEMBL6927608

SCHEMBL6927608

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
PTGES O14684 1/20 0.52
ERN1 O75460 1/20 0.49
PDE7A Q13946 6/20 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
MAPT P10636 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PTPN1 P18031 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.37

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 0.86 PDE7A (0.55) GAAPTGESERN1PDE7APDE4B
SCHEMBL6929731 0.86 GAA (0.69) GAAPTGESERN1PDE7APDE4B
SCHEMBL6929722 0.86 GAA (0.55) GAAPTGESERN1PDE7APDE4B
SCHEMBL6927792 0.86 ERN1 (0.56) GAAPTGESERN1PDE7APDE4B
SCHEMBL4748682 0.85 PDE7A (0.64) GAAPTGESERN1PDE7APDE4B
SCHEMBL6926325 0.82 GAA (0.58) GAAPTGESERN1PDE7APDE4B
SCHEMBL6929282 0.82 GAA (0.52) GAAPTGESERN1PDE7APDE4B
SCHEMBL6928500 0.82 PDE7A (0.54) GAAPTGESERN1PDE7APDE4B
SCHEMBL6927189 0.81 MAPT (0.53) GAAPTGESERN1PDE7APDE4B
SCHEMBL6926885 0.81 PDE7A (0.48) GAAPTGESERN1PDE7APDE4B

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