SCHEMBL7510757

SCHEMBL7510757

COc1c(C=O)cccc1[N+](=O)[O-].O=Cc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.74
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
GPR35 Q9HC97 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 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
SCHEMBL2885741 0.91 ERN1 (0.57) ERN1CA1CA2L3MBTL1MAPT
SCHEMBL31145561 0.86 ERN1 (1.00) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL311131 0.86 ERN1 (1.00) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL30661191 0.85 ERN1 (0.96) ERN1GPR35L3MBTL1MAPTKMT2A
Potassium SCHEMBL30661194 0.85 ERN1 (0.96) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL29114874 0.85 ERN1 (0.96) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL11417397 0.85 ERN1 (0.96) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL29114884 0.85 ERN1 (0.96) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL11417400 0.85 ERN1 (0.96) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL790725 0.82 ERN1 (0.54) ERN1CA1CA2TLR2TLR1

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-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO disclosed