SCHEMBL6927459

SCHEMBL6927459

Cc1ccc(COc2ccc([N+](=O)[O-])cc2C=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.57
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CCR5 P51681 2/20 0.52
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KDR P35968 1/20 0.47
ERN1 O75460 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7819820 0.92 MAPT (0.56) CYP19A1NPC1RAB9ACCR5MAPT
SCHEMBL29227165 0.87 CYP19A1 (0.56) CYP19A1NPC1RAB9ACCR5MAPT
SCHEMBL29227222 0.87 CCR5 (0.57) CYP19A1NPC1RAB9ACCR5MAPT
SCHEMBL6926436 0.86 MAPT (0.62) CYP19A1NPC1RAB9ACCR5MAPT
SCHEMBL13581060 0.86 CCR5 (0.49) CYP19A1NPC1RAB9ACCR5MAPT
SCHEMBL14691083 0.84 CCR5 (0.49) CYP19A1NPC1RAB9ACCR5MAPT
SCHEMBL29227166 0.84 CCR5 (0.49) CYP19A1NPC1RAB9ACCR5MAPT
SCHEMBL30354920 0.83 CYP19A1 (0.62) CYP19A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9947562 0.83 MAPT (0.54) CYP19A1NPC1RAB9ACCR5MAPT
SCHEMBL6926584 0.82 NPC1 (0.53) CYP19A1NPC1RAB9ACCR5MAPT

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