SCHEMBL6927262

SCHEMBL6927262

Cc1ccc(COc2ccc([N+](=O)[O-])c(C=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
MAOA P21397 3/20 0.56
BACE1 P56817 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TUBB1 Q9H4B7 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1646241 0.90 NPC1 (0.58) BACE1ALDH1A1MAPTNPC1RAB9A
SCHEMBL8943775 0.87 MAOB (0.56) MAOBMAOABACE1ALDH1A1MAPT
SCHEMBL31053128 0.86 BACE1 (0.61) MAOBMAOABACE1NPC1RAB9A
SCHEMBL1646385 0.86 BACE1 (0.61) MAOBMAOABACE1NPC1RAB9A
SCHEMBL1647995 0.86 APP (0.47) MAOBMAOABACE1ALDH1A1MAPT
SCHEMBL7325804 0.84 MAPT (0.53) MAOBMAOABACE1MAPTRAB9A
SCHEMBL6117534 0.80 MAPT (0.63) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL7146795 0.79 MAOB (0.58) MAOBMAOAALDH1A1MAPTNPC1
SCHEMBL811395 0.78 MAOB (0.50) MAOBMAOAALDH1A1MAPTNPC1
SCHEMBL1647554 0.78 MAPT (0.49) BACE1ALDH1A1MAPTLMNAHPGD

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