SCHEMBL6927148

SCHEMBL6927148

CCc1ccc(Sc2ccc(C=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPT P10636 7/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPSR1 Q6W5P4 3/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
ALOX12 P18054 1/20 0.54
TDP1 Q9NUW8 3/20 0.52
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PLA2G4A P47712 1/20 0.49
ALDH3A1 P30838 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 1/20 0.47
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
VCAM1 P19320 1/20 0.46
THRB P10828 1/20 0.45
PDE7A Q13946 2/20 0.45

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
SCHEMBL27607595 0.87 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL5661855 0.85 MAPT (0.72) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6058010 0.82 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL18376679 0.82 PDE7A (0.62) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6930035 0.82 PLA2G4A (0.69) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL26332304 0.82 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL13236474 0.80 MAPT (0.78) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL810620 0.78 PDE7A (0.62) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6929988 0.77 VCAM1 (0.61) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8702711 0.77 VCAM1 (0.74) ALDH1A1MAPTMEN1KMT2ANPSR1

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