SCHEMBL6896022

SCHEMBL6896022

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 1/20 0.47
CYP1A2 P05177 3/20 0.45
PTPN1 P18031 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
CES2 O00748 1/20 0.42
HPGD P15428 1/20 0.41
HSPB1 P04792 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP2C9 P11712 1/20 0.40

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 1.00 MAPT (0.47) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL6896018 0.91 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL48069 0.85 CYP19A1 (0.49) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL48068 0.85 CYP19A1 (0.49) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3022578 0.85 GAA (0.54) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7195564 0.83 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7195559 0.83 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7468700 0.82 AKR1C3 (0.43) MAPTMEN1KMT2ACYP1A2PTGDR2
SCHEMBL3286121 0.81 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14957200 0.81 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ACYP1A2

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