SCHEMBL3909189

SCHEMBL3909189

Cc1cc([N+](=O)[O-])cc(C)c1-c1cccc2nc(C(=O)O)c3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 8/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 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
SCHEMBL3900538 0.85 MAPT (0.45) MAPTALDH1A1TDP1THRBKDM4E
SCHEMBL3907398 0.69 PDE10A (0.44) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL3904685 0.68 PDE10A (0.46) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL30663240 0.67 TTR (0.47) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL7047790 0.66 MAPT (0.55) MAPTALDH1A1TDP1THRBKDM4E
SCHEMBL16037877 0.66 MEN1 (0.65) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL16037875 0.66 MEN1 (0.65) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL3067398 0.65 ALDH1A1 (0.68) MAPTALDH1A1KDM4EKMT2AMEN1
Nitric Acid SCHEMBL16898979 0.65 KDM4E (0.46) MAPTALDH1A1TDP1THRBKDM4E
SCHEMBL7047836 0.64 PDE10A (0.43) MAPTALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5290936-A Indicators or labels for antibodies or medical diagnosis LONDON DIAGNOSTICS, INC. (US) 1994-03-01 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed