SCHEMBL6896018

SCHEMBL6896018

O=C(Oc1ccc([N+](=O)[O-])cc1Cc1ccccc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN1 P18031 1/20 0.45
CYP1A2 P05177 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
HSPB1 P04792 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
CES2 O00748 1/20 0.40
HPGD P15428 1/20 0.40
MAOB P27338 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL6896026 0.91 MAPT (0.47) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL6896022 0.91 MAPT (0.47) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL3022576 0.85 GAA (0.55) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL48067 0.84 CYP19A1 (0.49) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL14957199 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL5492543 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL11429326 0.78 CYP1A2 (0.57) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL2995971 0.77 CYP1A2 (0.42) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL2993623 0.77 RAB9A (0.47) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL1220299 0.77 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ACYP1A2

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
EP-0969083-B1 DNA CAPILLARY OLYMPUS OPTICAL CO (JP) 2004-03-24 EP disclosed
US-20030148367-A1 Comprises fluid passageway having immobilized oligonucleotide probes for detection of target DNA or messenger RNA OLYMPUS OPTICAL CO., LTD., A JAPANESE CORPORATION (JP) 2003-08-07 US disclosed
US-6559296-B2 Cylindrical fluid flow passageways OLYMPUS OPTICAL CO., LTD. (JP) 2003-05-06 US disclosed
US-20020013457-A1 DNA capillary OLYMPUS OPTICAL CO., LTD. (JP) 2002-01-31 US disclosed
EP-0969083-A1 DNA CAPILLARY OLYMPUS OPTICAL CO., LTD. (JP) 2000-01-05 EP disclosed