SCHEMBL3656808

SCHEMBL3656808

COC(=O)c1cc(-c2ccccc2OC)cc([N+](=O)[O-])c1.COc1ccccc1-c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
ALOX5 P09917 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PTGES O14684 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 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
SCHEMBL2203695 0.95 LMNA (0.55) MAPTLMNAKMT2AMEN1ALOX5
SCHEMBL2204261 0.94 KMT2A (0.53) MAPTLMNAKMT2AMEN1ALOX5
SCHEMBL3659810 0.89 MAPT (0.50) MAPTLMNAKMT2AMEN1ALOX5
SCHEMBL3652266 0.87 KMT2A (0.50) MAPTKMT2AMEN1ALOX5SMN1; SMN2
SCHEMBL27539635 0.86 HPGD (0.50) ALDH1A1
SCHEMBL8413418 0.84 HTT (0.51) MAPTKMT2AMEN1ALOX5SMN1; SMN2
SCHEMBL3652268 0.82 KMT2A (0.49) MAPTLMNAKMT2AMEN1ALOX5
SCHEMBL3664745 0.82 POLB (0.50) MAPTLMNAKMT2AMEN1ALOX5
SCHEMBL6162376 0.81 ALOX5 (0.59) MAPTLMNAKMT2AMEN1ALOX5
SCHEMBL3508583 0.81 POLB (0.55) MAPTKMT2AMEN1RAB9AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO disclosed