SCHEMBL6925522

SCHEMBL6925522

Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C=O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
PTGES O14684 1/20 0.53
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 2/20 0.53
ERN1 O75460 1/20 0.47
PDE7A Q13946 5/20 0.43
MAPT P10636 4/20 0.42
CYP3A4 P08684 2/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7B Q9NP56 1/20 0.40
NPBWR1 P48145 1/20 0.39
TBXA2R P21731 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 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
SCHEMBL6929731 0.86 GAA (0.69) GAAPTGESALDH1A1TDP1ERN1
SCHEMBL6929722 0.83 GAA (0.55) GAAPTGESALDH1A1ERN1PDE7A
SCHEMBL6926885 0.81 PDE7A (0.48) GAAPTGESALDH1A1TDP1TSHR
SCHEMBL6927189 0.81 MAPT (0.53) GAAPTGESTDP1ERN1PDE7A
SCHEMBL6927792 0.81 ERN1 (0.56) GAAPTGESALDH1A1TSHRERN1
SCHEMBL6922508 0.81 PDE7A (0.55) GAAPTGESTDP1ERN1PDE7A
SCHEMBL6927608 0.81 GAA (0.52) GAAPTGESALDH1A1ERN1PDE7A
SCHEMBL4748682 0.80 PDE7A (0.64) GAAPTGESALDH1A1TDP1ERN1
SCHEMBL6926325 0.80 GAA (0.58) GAAPTGESALDH1A1TDP1ERN1
SCHEMBL6929282 0.80 GAA (0.52) GAAPTGESALDH1A1ERN1PDE7A

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