SCHEMBL7822262

SCHEMBL7822262

O=Cc1ccccc1Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.54
NPSR1 Q6W5P4 1/20 0.51
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.46
ALOX5 P09917 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
F2 P00734 1/20 0.44
HPGD P15428 1/20 0.43
ERN1 O75460 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CHRNB2 P17787 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
SCHEMBL11453175 0.86 LMNA (0.57) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL28077654 0.84 KMT2A (0.59) LMNAKMT2AGAAALDH1A1MAPT
SCHEMBL8964117 0.83 ALDH1A1 (0.71) LMNAKMT2AGAAALDH1A1MAPT
SCHEMBL6928480 0.81 MAPT (0.56) LMNAKMT2AGAAALDH1A1MAPT
SCHEMBL8964120 0.81 LMNA (0.56) LMNAKMT2AGAAALDH1A1MAPT
SCHEMBL9688249 0.80 MAPT (0.58) LMNAKMT2AGAAALDH1A1MAPT
SCHEMBL5271515 0.79 L3MBTL1 (0.55) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL10596737 0.79 MEN1 (0.56) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL4203388 0.79 TSHR (0.67) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL28053128 0.78 ALOX5 (0.59) LMNAKMT2AALDH1A1MAPTMEN1

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
CN-105164127-A Bromodomain inhibitors ABBVIE INC 2015-12-16 CN 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