SCHEMBL6925044

SCHEMBL6925044

O=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ERN1 O75460 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.47
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
PTGES O14684 1/20 0.46
PHGDH O43175 1/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6926210 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL520702 0.78 KDM4E (0.69) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL6926310 0.78 PTGES (0.56) ALDH1A1KMT2AMEN1LMNAERN1
SCHEMBL6926307 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNASMN1; SMN2ERN1
SCHEMBL6926312 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNASMN1; SMN2ERN1
SCHEMBL6927792 0.76 ERN1 (0.56) ALDH1A1KMT2AMEN1ERN1GAA
SCHEMBL6922508 0.73 PDE7A (0.55) L3MBTL1ERN1CYP2C9GAAPTGES
SCHEMBL6927608 0.73 GAA (0.52) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6929731 0.73 GAA (0.69) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL6929722 0.73 GAA (0.55) ALDH1A1KMT2AMEN1KDM4ELMNA

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